SCHEMBL7672910

SCHEMBL7672910

COc1cc(OC)cc(C2NC(=O)c3ccccc3N2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 9/20 0.76
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 2/20 0.66
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HPGD P15428 1/20 0.66
HSD17B10 Q99714 1/20 0.59
TNKS O95271 2/20 0.56
PARP3 Q9Y6F1 2/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
GAA P10253 1/20 0.55
PBRM1 Q86U86 1/20 0.51

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
SCHEMBL27925475 0.88 TNKS2 (0.72) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2821455 0.88 TNKS2 (0.72) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL27925494 0.88 TNKS2 (0.72) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7674927 0.86 TNKS2 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL29913510 0.86 TNKS2 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL30257239 0.79 ALDH1A1 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7665294 0.79 ALDH1A1 (1.00) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7673041 0.77 TNKS2 (0.64) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31338442 0.77 TNKS2 (0.64) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7667617 0.77 TNKS2 (0.64) TNKS2ALDH1A1KDM4EMAPTSMN1; SMN2

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-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed