Bromide

Bromide

SCHEMBL9518983

Br.O=c1[nH]c(-c2ccc(CCCl)cc2)cs1

nearest known ligand 0.60

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 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
BRD4 O60885 13/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.37
PPARG P37231 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR84 Q9NQS5 3/20 0.35

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
SCHEMBL9519379 0.98 ALDH1A1 (0.62) ALDH1A1BRD4SMN1; SMN2MEN1POLB
SCHEMBL9519265 0.88 ALDH1A1 (0.57) ALDH1A1BRD4SMN1; SMN2MEN1POLB
SCHEMBL16414571 0.79 BRD4 (0.54) ALDH1A1BRD4SMN1; SMN2MAPTGPR84
SCHEMBL3836008 0.75 ALDH1A1 (1.00) ALDH1A1BRD4SMN1; SMN2MEN1POLB
SCHEMBL16414580 0.72 BRD4 (0.67) ALDH1A1BRD4SMN1; SMN2MEN1POLB
SCHEMBL15351910 0.72 BRD4 (0.67) ALDH1A1BRD4SMN1; SMN2MEN1POLB
SCHEMBL16415205 0.72 SMN1; SMN2 (0.92) ALDH1A1BRD4SMN1; SMN2IDO1
SCHEMBL16414517 0.72 BRD4 (0.67) ALDH1A1BRD4SMN1; SMN2MEN1MAPT
SCHEMBL957329 0.71 SMN1; SMN2 (1.00) ALDH1A1BRD4SMN1; SMN2MAPTIDO1
SCHEMBL17797070 0.70 SMN1; SMN2 (0.68) ALDH1A1BRD4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279598-B1 ARYLPIPERAZINYL-ALKYLENE-PHENYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1993-09-15 EP disclosed
US-4891375-A Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1990-01-02 US disclosed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP disclosed