SCHEMBL7389409

SCHEMBL7389409

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

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
NAMPT P43490 14/20 0.44
POLB P06746 1/20 0.43
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL7382928 0.93 GAA (0.48) KMT2ANAMPTPOLBNLRP3
SCHEMBL9394451 0.92 KMT2A (0.48) KMT2ANAMPTPOLBNLRP3
SCHEMBL9394066 0.88 OPRK1 (0.40) KMT2APOLBNLRP3
SCHEMBL7380058 0.84 CTSG (0.40) KMT2ANLRP3
SCHEMBL9394724 0.83 KMT2A (0.39) KMT2APOLBNLRP3
SCHEMBL7386038 0.82 TSHR (0.42) NAMPTPOLBNLRP3
SCHEMBL6978278 0.80 KMT2A (0.47) KMT2ANAMPTPOLB
SCHEMBL7386075 0.79 ALDH1A1 (0.43) KMT2APOLB
SCHEMBL9389734 0.79 KMT2A (0.45) KMT2ANAMPTPOLB
SCHEMBL7962534 0.78 KMT2A (0.44) KMT2ANAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624956-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1997-04-29 US disclosed
US-5475025-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1995-12-12 US disclosed
US-5314902-A Thioureas and guanidine compounds, anticoagulants MONSANTO COMPANY (US) 1994-05-24 US disclosed