SCHEMBL623301

SCHEMBL623301

CCOC(=O)N1Cc2sc(C(=O)OC)c(N)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ADORA1 P30542 1/20 0.43
HPGD P15428 5/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 3/20 0.42
NPSR1 Q6W5P4 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 2/20 0.40
PKM P14618 1/20 0.40
BLM P54132 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL623383 0.89 MAPT (0.52) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL624102 0.83 ADORA1 (0.49) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL623258 0.83 MAPT (0.43) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL937821 0.76 ADORA1 (0.65) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL9425818 0.75 ALDH1A1 (0.47) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL22392258 0.74 MEN1 (0.56) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL16007549 0.73 ADORA1 (0.72) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL624426 0.73 MAPT (0.41) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL20665903 0.73 ADORA1 (0.61) MAPTKDM4EGAAALDH1A1ADORA1
SCHEMBL622747 0.73 ADORA1 (0.52) MAPTKDM4EGAAALDH1A1ADORA1

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