SCHEMBL29923773

SCHEMBL29923773

COc1cc(C(=O)NC2CCN(C)CC2)c2nc(C)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
MCHR1 Q99705 5/20 0.46
SSTR4 P31391 2/20 0.44
POLR1A O95602 1/20 0.43
HPGDS O60760 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 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
SCHEMBL24915573 0.81 KMT2A (0.43) KMT2AMCHR1POLR1AALDH1A1KCNH2
SCHEMBL31438766 0.78 KMT2A (0.53) KMT2AMCHR1ALDH1A1KDM4EHPGD
SCHEMBL29535889 0.75 MCHR1 (0.50) KMT2AMCHR1SSTR4ALDH1A1KDM4E
SCHEMBL29923911 0.73 NFKBIA (0.49) KMT2AALDH1A1KDM4E
SCHEMBL2015530 0.73 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3400415 0.71 PPARA (0.53) MCHR1HPGDS
SCHEMBL14924436 0.71 KMT2A (0.54) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30468945 0.70 SSTR4 (0.46) SSTR4HPGDSALDH1A1KDM4EHPGD
SCHEMBL4516387 0.69 ALDH1A1 (0.72) KMT2AMCHR1ALDH1A1
SCHEMBL29363800 0.69 ALDH1A1 (0.72) KMT2AMCHR1ALDH1A1

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed