SCHEMBL3255408

SCHEMBL3255408

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRB2 P07550 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3251108 0.92 ALDH1A1 (0.43) MAPTTP53RXFP1POLBKDM4E
SCHEMBL3247465 0.88 CRHBP (0.47) MAPTTP53POLBKDM4EALDH1A1
SCHEMBL3247431 0.88 MAPT (0.48) MAPTTP53RXFP1POLBKDM4E
SCHEMBL3254915 0.86 MAPT (0.47) MAPTTP53RXFP1POLBKDM4E
SCHEMBL3255978 0.86 FEN1 (0.39) MAPTTP53RXFP1POLBKDM4E
SCHEMBL3241840 0.83 KDM4E (0.41) MAPTTP53RXFP1POLBKDM4E
SCHEMBL3241913 0.82 KDM4E (0.51) MAPTTP53RXFP1POLBKDM4E
SCHEMBL3251841 0.82 MAPT (0.51) MAPTTP53RXFP1POLBKDM4E
SCHEMBL3250557 0.82 MAPT (0.41) MAPTTP53POLBKDM4EALDH1A1
SCHEMBL3253968 0.82 PKM (0.49) MAPTTP53POLBKDM4EALDH1A1

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