SCHEMBL624426

SCHEMBL624426

CCOC(=O)N1Cc2sc(C(=O)OC)c(N)c2C1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 7/20 0.39
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 5/20 0.34
ALOX15 P16050 2/20 0.34
GLA P06280 1/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL623291 0.85 MAPT (0.36) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL622511 0.84 NR1H2 (0.36) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL623301 0.73 MAPT (0.49) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL623383 0.71 MAPT (0.52) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL22392265 0.63 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL623258 0.63 MAPT (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL7021001 0.61 MAPT (0.52) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL624102 0.60 ADORA1 (0.49) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9722794 0.60 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2803645 0.60 ALDH1A1 (0.65) MAPTALDH1A1MEN1KMT2AHPGD

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
WO-2012020227-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-02-16 WO disclosed