SCHEMBL3246156

SCHEMBL3246156

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(O)c4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
LMNA P02545 4/20 0.45
TP53 P04637 4/20 0.45
THRB P10828 2/20 0.45
HSD17B10 Q99714 5/20 0.41
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ESR1 P03372 1/20 0.41
PKM P14618 2/20 0.41
GAA P10253 2/20 0.41
AR P10275 1/20 0.41
POLB P06746 8/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL3246232 0.93 MAPT (0.46) MAPTLMNATP53THRBHSD17B10
SCHEMBL3253968 0.92 PKM (0.49) MAPTLMNATP53THRBHSD17B10
SCHEMBL3251809 0.91 MAPT (0.44) MAPTLMNATP53THRBHSD17B10
SCHEMBL3254878 0.91 PKM (0.52) MAPTLMNATP53THRBHSD17B10
SCHEMBL3249389 0.90 ALDH1A1 (0.52) MAPTLMNATP53THRBHSD17B10
SCHEMBL3249059 0.88 MAPT (0.47) MAPTLMNATP53HSD17B10MAPK1
SCHEMBL3264336 0.88 HIF1A (0.47) MAPTLMNATP53THRBHSD17B10
SCHEMBL3245358 0.87 LMNA (0.43) MAPTLMNATP53THRBHSD17B10
SCHEMBL3245542 0.87 ALDH1A1 (0.42) MAPTLMNATP53THRBHSD17B10
SCHEMBL3249858 0.87 HSD17B10 (0.42) MAPTLMNATP53THRBHSD17B10

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