Bromide

Bromide

SCHEMBL17339130

CCOC(=O)C[n+]1ccccc1CC.[Br-]

nearest known ligand 0.49

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
ERAP1 Q9NZ08 1/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.40
APOBEC3A P31941 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NLRP3 Q96P20 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL17339102 0.98 KMT2A (0.47) ERAP1KMT2AMEN1ALDH1A1KDM4E
Bromide SCHEMBL7401891 0.89 ERAP1 (0.48) ERAP1KMT2AMEN1ALDH1A1KDM4E
Bromide SCHEMBL893233 0.81 ERAP1 (0.49) ERAP1KMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11606548 0.81 KMT2A (0.51) ERAP1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL19700528 0.79 KMT2A (0.49) ERAP1KMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11422962 0.77 KMT2A (0.48) ERAP1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17130343 0.76 PKM (0.42) KMT2AMEN1ALDH1A1KDM4ETSHR
Bromide SCHEMBL9210341 0.74 ERAP1 (0.45) ERAP1KMT2AMEN1ALDH1A1KDM4E
Bromide SCHEMBL22409606 0.73 LMNA (0.49) KMT2AMEN1ALDH1A1MAPTHTT
Bromide SCHEMBL15941654 0.72 NPC1 (0.41) KMT2AMEN1ALDH1A1KDM4EMAPT

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
WO-2015188777-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-17 WO disclosed