SCHEMBL7728765

SCHEMBL7728765

COc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
MCHR1 Q99705 14/20 0.54
HTR2C P28335 1/20 0.53
GAA P10253 1/20 0.50
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC2A1 P11166 1/20 0.45

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
SCHEMBL6603515 0.89 MCHR1 (0.49) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL6602805 0.89 MCHR1 (0.62) POLBMCHR1HTR2CSLC2A1
SCHEMBL6604858 0.87 MCHR1 (0.53) POLBMAPTMCHR1HTR2CSLC2A1
SCHEMBL6602551 0.84 MCHR1 (0.54) MAPTMCHR1HTR2CGAASMN1; SMN2
SCHEMBL6605510 0.82 MCHR1 (0.67) ALDH1A1MAPTMCHR1HTR2CGAA
SCHEMBL6603148 0.82 MCHR1 (0.65) ALDH1A1MAPTMCHR1HTR2CSMN1; SMN2
SCHEMBL6602916 0.81 MCHR1 (0.73) MCHR1HTR2C
SCHEMBL6925443 0.78 MCHR1 (0.81) MCHR1HTR2CSLC2A1
SCHEMBL6603526 0.78 MAPT (0.44) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL6603893 0.78 MCHR1 (0.61) ALDH1A1POLBMAPTHPGDMCHR1

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-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed