SCHEMBL3250779

SCHEMBL3250779

CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3cc(OC)c(S(=O)(=O)N(C)C4CC4)cc3c12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RET P07949 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 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
SCHEMBL3250995 0.91 PKM (0.34) PKMALDH1A1MAPTHPGDLMNA
SCHEMBL3251623 0.88 ALDH1A1 (0.36) PKMHTTMEN1KMT2AMCOLN3
SCHEMBL3255160 0.86 MAPT (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3245465 0.82 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3252606 0.82 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3254901 0.81 KDM4E (0.38) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL3247132 0.81 PKM (0.39) PKMHTTMEN1KMT2AMCOLN3
SCHEMBL3251021 0.80 MAPT (0.32) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3249412 0.80
SCHEMBL3251355 0.80 ALDH1A1 (0.37) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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