SCHEMBL623291

SCHEMBL623291

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.33
PKM P14618 1/20 0.32
TP53 P04637 2/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 3/20 0.31
USP2 O75604 2/20 0.31
GAA P10253 3/20 0.31
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CXCR2 P25025 1/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL624426 0.85 MAPT (0.41) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL623258 0.77 MAPT (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL624101 0.74 MAPT (0.46) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL622511 0.70 NR1H2 (0.36) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL14261377 0.66 ALDH1A1 (0.54) MAPTALDH1A1MAPK1HSD17B10HPGD
SCHEMBL623301 0.64 MAPT (0.49) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL27270422 0.63 MEN1 (0.41) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL623383 0.61 MAPT (0.52) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3615750 0.58 MAPT (0.62) MAPTALDH1A1KMT2AHPGDKDM4E
SCHEMBL6206616 0.56 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2AHSD17B10

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