SCHEMBL6385772

SCHEMBL6385772

O=C(Nc1ccccc1)Oc1cscc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
BLM P54132 1/20 0.46
NPC1 O15118 1/20 0.45
FAAH O00519 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAOB P27338 1/20 0.42
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL6427225 0.81 MEN1 (0.45) GAAKMT2AFAAHALDH1A1MAPT
SCHEMBL5502758 0.76 DAO (0.32) ALDH1A1MAOB
SCHEMBL3984497 0.75 DHODH (0.54) GAAKMT2AKDM4ENPC1ALDH1A1
SCHEMBL6384556 0.74 GAA (0.46) GAAKMT2AKDM4EBLMNPC1
SCHEMBL6389794 0.74 NPC1 (0.48) GAAKMT2AKDM4EBLMNPC1
SCHEMBL28731984 0.71 HSP90AA1 (0.56) GAAKMT2AKDM4EBLMFAAH
SCHEMBL28147400 0.70 HSP90AA1 (0.61) GAAKMT2AKDM4EBLMNPC1
SCHEMBL27682749 0.70 ALDH1A1 (0.52) GAAKMT2ANPC1FAAHALDH1A1
SCHEMBL27663187 0.70 FAAH (0.52) GAAKMT2AKDM4EBLMNPC1
SCHEMBL1011919 0.70 ALDH1A1 (0.59) GAAKMT2ANPC1ALDH1A1HTT

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-1608637-A1 TRIFLUOROMETHYL-THIOPHENE CARBOXYLIC ACID ANILIDES AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-12-28 EP disclosed
WO-2004085419-A1 TRIFLUOROMETHYL-THIOPHENE CARBOXYLIC ACID ANILIDES AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 WO disclosed