Bromide

Bromide

SCHEMBL2877131

C=Cc1cccc[n+]1CCCC.[Br-]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 10/20 0.37
KDM4A O75164 2/20 0.48
KDM2A Q9Y2K7 2/20 0.48
HDAC8 Q9BY41 1/20 0.47
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 5/20 0.41
HTT P42858 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
RAD52 P43351 2/20 0.41
RGS12 O14924 1/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
THRB P10828 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4362312 0.98 KDM4A (0.49) KDM4AKDM2AHDAC8NPC1RAB9A
Hydrochloric Acid SCHEMBL8013329 0.97 KDM4A (0.48) KDM4AKDM2AHDAC8NPC1RAB9A
Iodide SCHEMBL11381517 0.97 KDM4A (0.50) KDM4AKDM2AHDAC8NPC1RAB9A
Methyl Alcohol SCHEMBL10936101 0.93 KDM4A (0.48) KDM4AKDM2AHDAC8NPC1RAB9A
Bromide SCHEMBL28803406 0.93 KDM4A (0.56) KDM4AKDM2AHDAC8NPC1RAB9A
Bromide SCHEMBL28214927 0.93 KDM4A (0.56) KDM4AKDM2AHDAC8NPC1RAB9A
Bromide SCHEMBL2425549 0.93 KDM4A (0.56) KDM4AKDM2AHDAC8NPC1RAB9A
SCHEMBL19582692 0.92 KDM4A (0.57) KDM4AKDM2AHDAC8NPC1RAB9A
SCHEMBL19582519 0.92 KDM4A (0.57) KDM4AKDM2AHDAC8NPC1RAB9A
SCHEMBL29431056 0.92 KDM4A (0.57) KDM4AKDM2AHDAC8NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183016-B1 STEREOCOMPLEX HYDROGELS UNIV UTRECHT (NL) 2004-04-21 EP claimed
US-20100255098-A1 STEREOCOMPLEX HYDROGELS UNIVERSITEIT UTRECHT (NL) 2010-10-07 US disclosed
US-7776359-B1 Stereocomplex hydrogels UNIVERSITEIT UTRECHT (NL) 2010-08-17 US disclosed
EP-1183016-B1 STEREOCOMPLEX HYDROGELS UNIV UTRECHT (NL) 2004-04-21 EP disclosed
US-6684683-B2 Method and apparatus for characterizing the barrier properties of members of combinatorial libraries GENERAL ELECTRIC COMPANY 2004-02-03 US disclosed
US-20030160194-A1 Method and apparatus for characterizing the barrier properties of members of combinatorial libraries GENERAL ELECTRIC COMPANY 2003-08-28 US disclosed
US-5667895-A HYDROPHILIC POLYMER AND COMPATABLE LIQUID IN A VISCOUS COLLOID, FOOTWEAR JENKNER BRIAN D (US) 1997-09-16 US disclosed
US-5529877-A Microcapsule toner and processes for preparation of microcapsule and microcapsule toner FUJI XEROX CO., LTD. (JP) 1996-06-25 US disclosed
US-5385802-A Process for producing toner FUJI XEROX CO., LTD. (JP) 1995-01-31 US disclosed
EP-0610217-A4 IMPROVEMENTS IN PAPER MAKING. DELTA CHEMICALS INC (US) 1994-11-02 EP disclosed
US-5336582-A Electrophotographic image formation comprising an arylamine in a charge transport layer and an encapsulated toner FUJI XEROX CO., LTD. (JP) 1994-08-09 US disclosed
WO-1993025754-A1 IMPROVEMENTS IN PAPER MAKING DELTA CHEMICALS, INC. (US) 1993-12-23 WO disclosed
US-5178730-A Medium/high molecular weight cationic polymers and hectorite for paper DELTA CHEMICALS (US) 1993-01-12 US disclosed
US-4927447-A HYDRATION, DEHYDRATION OF HYDROPHILIC POLYMER YOUSSEF NABIL N (US) 1990-05-22 US disclosed
US-4762545-A FERTILIZERS, NUTRIENTS, WATER SWELLING POLYMERS YOUSSEF NABIL N (US) 1988-08-09 US disclosed
US-4655076-A Moisture measuring apparatus RAYCHEM CORPORATION (US) 1987-04-07 US disclosed
US-4548893-A NEGATIVE WORKING, VINYL POLYMER HAVING AROMATIC QUATERNIZED NITROG GTE LABORATORIES INCORPORATED (US) 1985-10-22 US disclosed
US-4456678-A High resolution lithographic resist of negative working cationic vinyl polymer GTE LABORATORIES INCORPORATED (US) 1984-06-26 US disclosed
US-4269188-A MULTILAYER, ABSORBENT POLYMER POWDER, FLUFF PULP, HIGH AND LOW WET STRENGTH PAPER KAO SOAP CO., LTD. (JP) 1981-05-26 US disclosed
US-4058124-A Disposable absorbent articles containing particulate, free-flowing, insoluble swellable polymers UNION CARBIDE CORPORATION (US) 1977-11-15 US disclosed