Bromide

Bromide

SCHEMBL8428641

Br.N=C(N)c1ccc(O)c(F)c1F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
F12 P00748 1/20 0.30
F7 P08709 1/20 0.30
F3 P13726 1/20 0.30
PKM P14618 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL20599650 0.77 CES2 (0.54) LMNAKLK1KLK5CES2CES1
SCHEMBL10457470 0.76 KDM4E (0.46) CES2CES1KDM4E
SCHEMBL12569725 0.74 HPGD (0.44) CES2CES1F2F10F12
SCHEMBL28324998 0.74 HPGD (0.44) LMNACES2CES1F2F10
Ammonia Solution, Strong SCHEMBL30995385 0.74 KDM4E (0.45) CES2CES1KDM4E
SCHEMBL29987655 0.72 PIM1 (0.41) LMNAKDM4E
SCHEMBL1512796 0.72 PIM1 (0.41) LMNAKDM4E
SCHEMBL11212084 0.70 CES2 (0.44) CES2CES1
SCHEMBL7032709 0.70 SELL (0.50) LMNAF2F10F12F7
SCHEMBL5746471 0.70 CA3 (0.48) LMNAKLK1KLK5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed