SCHEMBL3250586

SCHEMBL3250586

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(N(C)C)cc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TYMS P04818 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRB1 P18505 1/20 0.34
GABRA3 P34903 1/20 0.34
CLEC4M Q9H2X3 1/20 0.34

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
SCHEMBL3255332 0.85 ADORA3 (0.40) HSD17B10ALDH1A1KDM4EGAAHPGD
SCHEMBL3252529 0.85 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EGAAHPGD
SCHEMBL3245727 0.85 GABRA1 (0.50) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL3248921 0.85 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4EHPGDMEN1
SCHEMBL3247431 0.84 MAPT (0.48) HSD17B10ALDH1A1KDM4EUSP2GAA
SCHEMBL3243057 0.83 CHEK1 (0.37) HSD17B10ALDH1A1KDM4EHPGDMEN1
SCHEMBL3251608 0.83 JAK2 (0.47) HSD17B10ALDH1A1KDM4EUSP2GAA
SCHEMBL3249374 0.82 CHEK1 (0.47) HSD17B10ALDH1A1KDM4EHPGDMEN1
SCHEMBL3241840 0.82 KDM4E (0.41) HSD17B10ALDH1A1KDM4EHPGDMEN1
SCHEMBL3244745 0.82 GABRA1 (0.36) HSD17B10ALDH1A1KDM4EHPGDMEN1

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed