SCHEMBL6821755

SCHEMBL6821755

COc1ccc(N(C)C(C)=O)cc1-c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
AHR P35869 1/20 0.33
ALB P02768 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
GPR6 P46095 4/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CETP P11597 1/20 0.31
TP53 P04637 2/20 0.31
PDE4B Q07343 1/20 0.31
PLA2G7 Q13093 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
MAPT P10636 1/20 0.30
LTC4S Q16873 1/20 0.30

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
SCHEMBL6821704 0.93 HIF1A (0.35) HIF1APOLBNPC1AHRALB
SCHEMBL6819209 0.92 HIF1A (0.34) HIF1APOLBNPC1AHRALB
SCHEMBL6821300 0.87 ALB (0.33) POLBALBTP53MAPT
SCHEMBL6819385 0.87 ALB (0.33) POLBALBTP53MAPT
SCHEMBL6819494 0.86 ALB (0.33) HIF1AALB
SCHEMBL6818790 0.86 ALB (0.32) ALBTP53
SCHEMBL6818876 0.86 ALB (0.32) ALBTP53
SCHEMBL6817342 0.86 ALB (0.32) HIF1AALBTP53PLA2G7
SCHEMBL6819369 0.85 ALB (0.33) POLBALBTP53MAPT
SCHEMBL6818244 0.85 PDE10A (0.34) HIF1AALB

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed