Bromide

Bromide

SCHEMBL9320690

C=CC(=O)NC(C)(C)CC[N+](C)(C)C.[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 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL758168 0.98 KMT2A (0.49) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL192474 0.96 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
Ethylenediamine SCHEMBL11573194 0.90 MEN1 (0.43) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL6116912 0.85 MEN1 (0.40) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
Bromide SCHEMBL6117348 0.85 KMT2A (0.44) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL7115006 0.83 MEN1 (0.46) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL1533171 0.79 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6117097 0.79 MEN1 (0.46) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL5529943 0.79 MEN1 (0.38) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL5057263 0.78 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430963-B1 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS ISP INVESTMENTS INC (US) 1994-01-12 EP claimed
EP-0430963-A4 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS 1991-11-21 EP claimed
EP-0430963-A1 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS. GAF CHEMICALS CORP (US) 1991-06-12 EP claimed
WO-1990001920-A1 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS GAF CHEMICALS CORPORATION (US) 1990-03-08 WO claimed
EP-0430963-B1 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS ISP INVESTMENTS INC (US) 1994-01-12 EP disclosed
EP-0430963-A4 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS 1991-11-21 EP disclosed
EP-0430963-A1 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS. GAF CHEMICALS CORP (US) 1991-06-12 EP disclosed
US-4923694-A HAIR CONDITIONERS; (3-METHACRYLAMIDOPROPYL) TRIMETHYL AMMONIUM CHLORIDE-VINYLPYRROLIDONE COPOLYMER GAF CHEMICALS CORPORATION (US) 1990-05-08 US disclosed
WO-1990001920-A1 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS GAF CHEMICALS CORPORATION (US) 1990-03-08 WO disclosed