Bromide

Bromide

SCHEMBL9168069

CCCCCCCCCCCCCCOc1cc(CC(=O)Nc2ccc(C[n+]3ccsc3C)cc2)ccc1OC.[Br-]

nearest known ligand 0.50

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 18)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.44
EPHX2 P34913 1/20 0.50
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 2/20 0.44
BCHE P06276 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMPD1 P17405 3/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.41
MAPK10 P53779 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
Bromide SCHEMBL9165825 0.97 EPHX2 (0.50) EPHX2LMNASMN1; SMN2MAPK1BCHE
Bromide SCHEMBL9170163 0.92 SMN1; SMN2 (0.53) EPHX2LMNASMN1; SMN2MAPK1BCHE
Bromide SCHEMBL9162237 0.90 MAPT (0.42) EPHX2LMNASMN1; SMN2HDAC1ALDH1A1
Bromide SCHEMBL9167606 0.90 MAPT (0.42) EPHX2LMNASMN1; SMN2HDAC1HDAC2
Bromide SCHEMBL9160351 0.90 ALDH1A1 (0.42) EPHX2LMNASMN1; SMN2MAPK1HTT
Bromide SCHEMBL9161672 0.90 C5 (0.51) MAPK1HTTKMT2AKDM4EALDH1A1
Bromide SCHEMBL9165253 0.89 HDAC1 (0.41) SMN1; SMN2MAPK1HDAC1HDAC2HTT
Bromide SCHEMBL9167667 0.89 MAPT (0.41) EPHX2LMNASMN1; SMN2HDAC1HDAC2
Bromide SCHEMBL9169337 0.88 SMN1; SMN2 (0.53) EPHX2LMNASMN1; SMN2MAPK1BCHE
Bromide SCHEMBL9169682 0.88 MAPT (0.41) EPHX2LMNASMN1; SMN2HDAC1HDAC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5432189-A Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1995-07-11 US disclosed
US-5350759-A Bis-aryl urea compounds WISSNER ALLAN (US) 1994-09-27 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed