SCHEMBL951541

SCHEMBL951541

Cc1ccccc1-c1ccc(C(=O)O)nc1-c1cc(O)c(Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 2/20 0.43
MCL1 Q07820 1/20 0.40
DHODH Q02127 1/20 0.38
EIF4E P06730 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CTSA P10619 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ACMSD Q8TDX5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMO O15229 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
FTO Q9C0B1 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL934656 0.86 CTSA (0.44) CTSAKDM4E
SCHEMBL4040384 0.84 EIF4E (0.46) HSD17B14MCL1DHODHEIF4EKMT2A
SCHEMBL1050097 0.74 EIF4E (0.44) HSD17B14MCL1DHODHEIF4ES1PR1
SCHEMBL934784 0.74 EIF4E (0.44) HSD17B14MCL1DHODHEIF4EKMT2A
SCHEMBL545109 0.72 HSD17B14 (0.40) HSD17B14MCL1EIF4ECTSAALDH1A1
SCHEMBL951351 0.71 KDM4E (0.43) CTSAALDH1A1KDM4ERAB9AKMO
SCHEMBL4037851 0.70 PTGER1 (0.47) MCL1DHODHEIF4ECTSA
SCHEMBL28291361 0.69 MGAM (0.43) MCL1EIF4EALDH1A1ACMSDKDM4E
SCHEMBL912838 0.68 KDM4E (0.45) EIF4EKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2772848 0.66 S1PR1 (0.69) S1PR1S1PR3MAPTNR1H4

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-2011007091-A1 DERIVATIVES OF 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS UROTENSIN-II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-20 WO disclosed