SCHEMBL29620992

SCHEMBL29620992

NC(=NO)c1nnccc1Nc1ncc(-c2ccc(F)cn2)o1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32

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
SCHEMBL29620995 0.87 ALOX5 (0.45) ALOX5
SCHEMBL29621015 0.86 P2RY1 (0.37) ALOX5
SCHEMBL29620939 0.80 ALOX5 (0.36) ALOX5
SCHEMBL29620991 0.77 ALOX5 (0.33) ALOX5
SCHEMBL28733735 0.77 ALOX5 (0.33) ALOX5
SCHEMBL22925605 0.77 ALOX5 (0.33) ALOX5
SCHEMBL22925740 0.76 ALOX5 (0.39) ALOX5
SCHEMBL22925766 0.76 ALOX5 (0.39) ALOX5
SCHEMBL29696308 0.76 ALOX5 (0.39) ALOX5
SCHEMBL29621051 0.74 TRPV1 (0.38)

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
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed