SCHEMBL18697152

SCHEMBL18697152

C=N/C(=C\C(=C/C)C(=O)O)Cc1ccc2ncc(C#N)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.33
KLKB1 P03952 1/20 0.32
CTBP2 P56545 1/20 0.32
ACACB O00763 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
CDK19 Q9BWU1 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
SCHEMBL18697222 0.84 KLKB1 (0.38) KLKB1
SCHEMBL19354570 0.79 KLKB1 (0.45) KLKB1
SCHEMBL25400513 0.77 EGLN1 (0.43) HPGDSEGLN1SLC22A12
SCHEMBL31264140 0.77 EGLN1 (0.43) HPGDSEGLN1SLC22A12
SCHEMBL18459010 0.77 MET (0.48) KLKB1
SCHEMBL23279828 0.74 HPGDS (0.41) HPGDSKLKB1ACACBCCNCCDK8
SCHEMBL20282952 0.73 KLKB1 (0.36) KLKB1
SCHEMBL20282810 0.72 KLKB1 (0.39) KLKB1
SCHEMBL17442585 0.69 HPGDS (0.44) HPGDSKLKB1ACACBCCNCCDK8
SCHEMBL17442542 0.67 HPGDS (0.44) HPGDSKLKB1CCNCCDK8

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
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 US disclosed