SCHEMBL623383

SCHEMBL623383

CCOC(=O)N1CCc2sc(C(=O)OC)c(N)c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 1/20 0.52
ADORA1 P30542 1/20 0.46
TP53 P04637 3/20 0.44
NPSR1 Q6W5P4 7/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 2/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 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
SCHEMBL623301 0.89 MAPT (0.49) MAPTKDM4EGAAADORA1TP53
SCHEMBL22392258 0.85 MEN1 (0.56) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL9425818 0.85 ALDH1A1 (0.47) MAPTKDM4EGAATP53NPSR1
SCHEMBL622747 0.84 ADORA1 (0.52) MAPTKDM4EGAAADORA1ALDH1A1
SCHEMBL624101 0.84 MAPT (0.46) MAPTKDM4EGAAADORA1TP53
SCHEMBL22392265 0.79 ALDH1A1 (0.46) MAPTKDM4EGAAADORA1ALDH1A1
SCHEMBL11559664 0.79 MAPT (0.46) MAPTKDM4EGAAADORA1TP53
SCHEMBL9437227 0.78 DRD4 (0.46) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL16007549 0.76 ADORA1 (0.72) MAPTKDM4EGAAADORA1TP53
SCHEMBL8093726 0.75 KDM4E (0.41) MAPTKDM4EGAAADORA1TP53

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