SCHEMBL5592016

SCHEMBL5592016

O=CCc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ACP1 P24666 1/20 0.39
IDO1 P14902 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.34
DAO P14920 2/20 0.33
CNR1 P21554 1/20 0.33
MTOR P42345 2/20 0.33
PARK7 Q99497 1/20 0.33
CES2 O00748 2/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PPARG P37231 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ACP3 P15309 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL1295656 0.86 IDO1 (0.48) IDO1DAOMTORCES2ACP3
SCHEMBL14918431 0.81 TP53 (0.33)
SCHEMBL2336642 0.79 IDO1 (0.41) IDO1
SCHEMBL1295918 0.78 RXRA (0.41) IDO1DAOMTORCES2
SCHEMBL29738521 0.78 IDO1 (0.41) NOTUMACP1IDO1TAS2R14DAO
SCHEMBL3591051 0.78 IDO1 (0.41) NOTUMACP1IDO1TAS2R14DAO
SCHEMBL23536705 0.77 IDH1 (0.39) NOTUMIDO1TAS2R14DAO
SCHEMBL22783327 0.77 IDO1 (0.37) NOTUMIDO1DAOCES2ACP3
SCHEMBL5264172 0.77 IDO1 (0.41) IDO1DAOCES2
SCHEMBL14445400 0.76 IDO1 (0.44) NOTUMACP1IDO1TAS2R14S1PR1

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
WO-2021122645-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-06-24 WO disclosed
WO-2007121389-A2 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-25 WO disclosed
US-5945382-A AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS RHONE-POULENC AGROCHIMIE (FR) 1999-08-31 US disclosed