SCHEMBL3242970

SCHEMBL3242970

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(O)c4)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.44
PKM P14618 3/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B2 P37059 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 2/20 0.42
AR P10275 1/20 0.42
BRD4 O60885 2/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
PDE3A Q14432 1/20 0.41
BRAF P15056 1/20 0.41
UQCRB P14927 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
SCHEMBL3254470 0.91 PKM (0.53) POLBPKMGAAARBRD4
SCHEMBL3248556 0.90 MAPT (0.50) POLBPKMKMT2AALDH1A1GAA
SCHEMBL3242717 0.90 ALDH1A1 (0.54) POLBPKMKMT2AALDH1A1TSHR
SCHEMBL3247955 0.89 PKM (0.54) POLBPKMKMT2AALDH1A1GAA
SCHEMBL3244659 0.87 POLB (0.57) POLBPKMKMT2AALDH1A1TSHR
SCHEMBL3249958 0.87 MAPT (0.50) POLBPKMKMT2AALDH1A1GAA
SCHEMBL3249236 0.85 BRD4 (0.60) POLBBRD4MAPTPDE3A
SCHEMBL3251158 0.85 BRAF (0.44) POLBPKMKMT2AALDH1A1TSHR
SCHEMBL3248608 0.85 POLB (0.46) POLBPKMKMT2AALDH1A1GAA
SCHEMBL4155342 0.84 SIRT2 (0.41) POLBPKMKMT2AHSD17B2GAA

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