SCHEMBL7673041

SCHEMBL7673041

COc1ccc(OC)c(C2NC(=O)c3ccccc3N2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 7/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 4/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 3/20 0.54
GAA P10253 3/20 0.54
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PBRM1 Q86U86 1/20 0.54
HSD17B10 Q99714 2/20 0.52
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL7667617 0.89 TNKS2 (0.64) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7670240 0.84 TNKS2 (0.65) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL31338442 0.84 TNKS2 (0.64) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL29913510 0.79 TNKS2 (1.00) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7674927 0.79 TNKS2 (1.00) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7665294 0.78 ALDH1A1 (1.00) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL2821455 0.78 TNKS2 (0.72) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL30257239 0.78 ALDH1A1 (1.00) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL27925494 0.78 TNKS2 (0.72) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL27925475 0.78 TNKS2 (0.72) TNKS2ALDH1A1HPGDSMN1; SMN2KDM4E

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