Bromide

Bromide

SCHEMBL9224448

Br.Cc1ccc2oc(C(C)C)nc2c1

nearest known ligand 0.53

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 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.53
NPC1 O15118 10/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
HPGD P15428 6/20 0.53
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 5/20 0.53
TP53 P04637 3/20 0.53
CASP3 P42574 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
POLB P06746 1/20 0.50
SENP8 Q96LD8 1/20 0.50
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.46
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL10223594 0.98 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL10222750 0.84 MAPT (0.56) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL19733285 0.82 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL10222751 0.81 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL10172908 0.80 MAPT (0.58) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL22775841 0.79 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL2609446 0.79 LMNA (0.56) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL20966351 0.79 CHRNB2 (0.43) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL10187352 0.79 CHRNB2 (0.43) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4790659 0.79 RAB9A (0.54) RAB9ANPC1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537300-B1 Oxazolidinedione hypoglycemic and hypocholesterolemic agents PFIZER (US) 1995-04-26 EP disclosed
EP-0537300-A1 OXA- AND THIAZOLIDINEDIONE HYPOGLYCEMIC AND HYPOCHOLESTEROLEMIC AGENTS. PFIZER (US) 1993-04-21 EP disclosed
WO-1991019704-A2 OXA- AND THIAZOLIDINEDIONE HYPOGLYCEMIC AND HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1991-12-26 WO disclosed
US-5037842-A Oxa- and thiazolidinedione hypoglycemic and hypocholesterolemic agents PFIZER INC. (US) 1991-08-06 US disclosed