SCHEMBL8397291

SCHEMBL8397291

COc1ccc(C(=O)C(C)Br)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 4/20 0.47
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 4/20 0.42
AKR1C3 P42330 4/20 0.42
AKR1C2 P52895 4/20 0.42
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
LMNA P02545 2/20 0.41
PGR P06401 2/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL3484699 0.88 NPC1 (0.49) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL1922400 0.85 NPC1 (0.57) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL1922571 0.85 HTT (0.53) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL5641091 0.83 NPC1 (0.45) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL1922880 0.83 JAK2 (0.49) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL5748247 0.81 MAPT (0.58) RAB9AHPGDALDH1A1MAPTMEN1
SCHEMBL8546140 0.80 L3MBTL1 (0.50) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL9726513 0.80 RAB9A (0.66) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL9744992 0.79 MAPT (0.47) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL29757182 0.79 CA1 (0.53) NPC1RAB9AHPGDCYP3A4ALDH1A1

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
US-5880135-A ANTAGONIST ACTIVITY WITH RESPECT TO CORTICOTROPIN RELEASING HORMONE SANOFI (FR) 1999-03-09 US disclosed
EP-0833822-A1 4-PHENYLAMINOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1998-04-08 EP disclosed
WO-1997000868-A1 4-PHENYLAMINOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1997-01-09 WO disclosed