SCHEMBL3250692

SCHEMBL3250692

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(-c4cc[nH]n4)cc3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CSF1R P07333 1/20 0.33
NPC1 O15118 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRB1 P18505 2/20 0.32
GABRA3 P34903 2/20 0.32
TYMS P04818 1/20 0.32
PARP1 P09874 3/20 0.32
CLEC4M Q9H2X3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL3252380 0.85 CSF1R (0.43) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3252260 0.85 JMJD6 (0.36) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3244562 0.85 CCNC (0.38) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3253850 0.84 SCN9A (0.38) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3252802 0.84 GABRA1 (0.43) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3246159 0.84 PARP1 (0.47) ALDH1A1HSD17B10NPC1PARP1TSHR
SCHEMBL3249865 0.83 KDM4E (0.40) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3243014 0.83 PARP1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1PARP1
SCHEMBL3252050 0.83 GAA (0.40) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3243023 0.83 PIM1 (0.41) GSK3BDYRK1A

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