SCHEMBL7843732

SCHEMBL7843732

CSc1ccc(C(Br)C(=O)c2ccccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ELANE P08246 2/20 0.35
PLAU P00749 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL7843292 0.84 CES2 (0.43) KMT2AMEN1NPC1RAB9ACES2
SCHEMBL7840807 0.84 RAB9A (0.47) KMT2AMEN1NPC1RAB9ACES2
SCHEMBL7845030 0.80 AKR1C3 (0.46) KMT2AMEN1NPC1RAB9ACES2
SCHEMBL7147778 0.78 TYK2 (0.50) NPC1RAB9ACES2CES1SLC6A2
Bromide SCHEMBL6280875 0.77 TYK2 (0.49) NPC1RAB9ACES2CES1SLC6A2
SCHEMBL10889643 0.76 CES2 (0.48) KMT2AMEN1CES2CES1LMNA
SCHEMBL6516239 0.75 PLK1 (0.42) KMT2AMEN1CES2CES1LMNA
SCHEMBL7843096 0.75 PLK1 (0.42) KMT2AMEN1CES2CES1LMNA
SCHEMBL7833587 0.75 PLK1 (0.42) KMT2AMEN1CES2CES1MAPT
SCHEMBL28629683 0.73 SLC6A2 (0.49) NPC1RAB9AHPGDSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed