SCHEMBL3249941

SCHEMBL3249941

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(C(=O)C=CN(C)C)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HCRTR1 O43613 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
PARP1 P09874 1/20 0.40
CLEC4M Q9H2X3 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
SCHEMBL3249936 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3244481 0.86 MAPT (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3244473 0.86 MAPT (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3245536 0.85 MAPT (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3244737 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3251608 0.81 JAK2 (0.47) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3249741 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL14623785 0.80 GABRA1 (0.41) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3251011 0.79 GABRA1 (0.47) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3254754 0.79 GABRA1 (0.47) ALDH1A1MEN1KMT2AHPGDHSD17B10

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