SCHEMBL3248510

SCHEMBL3248510

Cc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.55
POLB P06746 8/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
TP53 P04637 4/20 0.52
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CASP1 P29466 1/20 0.49
RECQL P46063 1/20 0.49
NTRK1 P04629 1/20 0.47

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
SCHEMBL3254872 0.88 TDP1 (0.51) TDP1POLBMAPTLMNAL3MBTL1
SCHEMBL3252252 0.88 KMT2A (0.51) TDP1POLBMAPTLMNAALDH1A1
SCHEMBL3248992 0.88 POLB (0.46) TDP1POLBMAPTLMNAL3MBTL1
SCHEMBL3244943 0.87 POLB (0.50) TDP1POLBMAPTLMNAL3MBTL1
SCHEMBL3254470 0.87 PKM (0.53) TDP1POLBMAPTTP53PKM
SCHEMBL4166095 0.84 TDP1 (0.51) TDP1POLBMAPTLMNAL3MBTL1
SCHEMBL3251084 0.84 MAPT (0.50) TDP1POLBMAPTLMNATP53
SCHEMBL3248556 0.84 MAPT (0.50) TDP1POLBMAPTLMNAL3MBTL1
SCHEMBL3252130 0.84 TAS2R14 (0.50) TDP1POLBMAPTL3MBTL1TP53
SCHEMBL3250099 0.81 POLB (0.47) TDP1POLBMAPTLMNAL3MBTL1

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 2 patents. 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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed