SCHEMBL3249397

SCHEMBL3249397

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccccc4OC)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 3/20 0.43
OGT O15294 1/20 0.43
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3250099 0.92 POLB (0.47) ALDH1A1MAPTTP53POLBOGT
SCHEMBL3253968 0.88 PKM (0.49) ALDH1A1SMN1; SMN2THRBMAPTTP53
SCHEMBL3255485 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2THRBMAPTTP53
SCHEMBL3249389 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2THRBMAPTTP53
SCHEMBL3249416 0.87 POLB (0.44) THRBMAPTTP53POLBLMNA
SCHEMBL3249833 0.86 POLB (0.44) ALDH1A1THRBMAPTTP53POLB
SCHEMBL3249676 0.86 POLB (0.47) ALDH1A1SMN1; SMN2THRBMAPTTP53
SCHEMBL3248591 0.85 TAS2R14 (0.43) ALDH1A1SMN1; SMN2THRBMAPTTP53
SCHEMBL3243020 0.85 PKM (0.48) ALDH1A1SMN1; SMN2MAPTTP53POLB
SCHEMBL3249059 0.85 MAPT (0.47) ALDH1A1SMN1; SMN2MAPTTP53POLB

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