SCHEMBL6822734

SCHEMBL6822734

COc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccnnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.44
ALB P02768 2/20 0.40
HIF1A Q16665 1/20 0.39
LRRK2 Q5S007 4/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL6814844 0.88 STING1 (0.40) STING1ALBLRRK2PYGLPYGM
SCHEMBL6818408 0.87 STING1 (0.41) STING1ALBHIF1ALRRK2PYGL
SCHEMBL6814351 0.85 HIF1A (0.40) STING1ALBHIF1ACA12CA1
SCHEMBL6819582 0.85 STING1 (0.39) STING1ALBLRRK2
SCHEMBL6818174 0.84 STING1 (0.39) STING1ALBLRRK2MAPTTP53
SCHEMBL6818738 0.84 RXFP1 (0.40) ALBHIF1ALRRK2CA12CA1
SCHEMBL6818297 0.83 HIF1A (0.45) ALBHIF1ACA12CA1CA7
SCHEMBL6819646 0.82 HIF1A (0.42) ALBHIF1ACA12CA1CA7
SCHEMBL6818631 0.82 HIF1A (0.38) ALBHIF1ACA12CA1CA7
SCHEMBL6818941 0.81 ALB (0.37) ALBHIF1ALRRK2CA12CA1

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