SCHEMBL8843541

SCHEMBL8843541

NC(=O)C(Cc1nnn[nH]1)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.39
MC1R Q01726 2/20 0.39
MMP3 P08254 1/20 0.38
ELANE P08246 1/20 0.38
PARP1 P09874 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
PSMB5 P28074 1/20 0.36
EPHX1 P07099 1/20 0.36
MEP1B Q16820 1/20 0.36

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
SCHEMBL8843470 0.94 MC5R (0.40) MC5RMC1R
SCHEMBL9706212 0.79 EPHX1 (0.51) ELANEPSMB5EPHX1MEP1B
SCHEMBL8843830 0.79 EPHX1 (0.51) ELANEPSMB5EPHX1MEP1B
SCHEMBL19450068 0.74 POLB (0.51) PSMB5
SCHEMBL8843372 0.73 DAGLA (0.41) PSMB5
SCHEMBL5653982 0.73 PDCD1 (0.49) EPHX1
SCHEMBL26523520 0.73 CYP1A2 (0.47) EPHX1
SCHEMBL5653973 0.73 PDCD1 (0.49) EPHX1
SCHEMBL1576808 0.73 PDCD1 (0.49) EPHX1
SCHEMBL18375339 0.72 ACE (0.51) PSMB5MEP1B

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed