SCHEMBL3718012

SCHEMBL3718012

Cc1c(Nc2ccc(C(F)(F)F)cc2N)cccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.58
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 2/20 0.53
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 3/20 0.48
AKR1B1 P15121 2/20 0.48

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
SCHEMBL1707910 0.88 CFTR (0.60) TAS2R14KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3717334 0.82 TAS2R14 (0.48) TAS2R14KDM4EALDH1A1HSD17B10HPGD
SCHEMBL20442580 0.80 TAS2R14 (0.54) TAS2R14KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6141350 0.79 CFTR (0.64) TAS2R14KDM4EALDH1A1HSD17B10HPGD
SCHEMBL14670349 0.77 TAS2R14 (0.68) TAS2R14HPGDMEN1KMT2AMAPT
SCHEMBL4859959 0.76 KDM4E (0.58) TAS2R14KDM4EALDH1A1HSD17B10HPGD
SCHEMBL22720171 0.76 TAS2R14 (0.74) TAS2R14MEN1KMT2AGAAAKR1C3
SCHEMBL1356666 0.74 GAA (0.68) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL6813056 0.74 TAS2R14 (0.77) TAS2R14MEN1KMT2AGAAAKR1C3
SCHEMBL16060789 0.73 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed