SCHEMBL9394451

SCHEMBL9394451

CCOC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)Nc1ccc(C=NN)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.43
NAMPT P43490 13/20 0.43
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL7389409 0.92 KMT2A (0.47) KMT2APOLBNAMPTNLRP3
SCHEMBL7382928 0.85 GAA (0.48) KMT2APOLBNAMPTNLRP3
SCHEMBL9394724 0.84 KMT2A (0.39) KMT2APOLBNLRP3
SCHEMBL9394066 0.82 OPRK1 (0.40) KMT2APOLBNLRP3
SCHEMBL7380058 0.81 CTSG (0.40) KMT2ANLRP3
SCHEMBL7386038 0.80 TSHR (0.42) POLBNAMPTNLRP3
SCHEMBL7962534 0.79 KMT2A (0.44) KMT2ANAMPT
SCHEMBL7976046 0.78 POLB (0.46) POLBNAMPT
SCHEMBL6949829 0.78 FAAH (0.41) KMT2APOLBNLRP3
SCHEMBL7835677 0.77 GPR132 (0.42)

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-1994017041-A1 AMIDINOPHENYL SUBSTITUTED UREA, THIOUREA OR GUANIDINO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-04 WO claimed