SCHEMBL3250430

SCHEMBL3250430

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(N)cc4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 7/20 0.44
TP53 P04637 5/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX12 P18054 1/20 0.43
PKM P14618 2/20 0.42
GAA P10253 1/20 0.42
AR P10275 1/20 0.42
USP2 O75604 2/20 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
SCHEMBL3249059 0.93 MAPT (0.47) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3254878 0.92 PKM (0.52) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3243020 0.92 PKM (0.48) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3251980 0.92 HSD17B10 (0.45) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3253968 0.91 PKM (0.49) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3249676 0.91 POLB (0.47) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3248794 0.91 MEN1 (0.58) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3245542 0.88 ALDH1A1 (0.42) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3249858 0.88 HSD17B10 (0.42) HSD17B10MAPK1ALDH1A1HPGDMEN1
SCHEMBL3261788 0.88 HIF1A (0.45) HSD17B10MAPK1ALDH1A1HPGDMEN1

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