SCHEMBL3264336

SCHEMBL3264336

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.47
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
BRD4 O60885 5/20 0.42
TP53 P04637 4/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.40
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL3246232 0.93 MAPT (0.46) MAPTALDH1A1HPGDTP53POLB
SCHEMBL3255483 0.92 BRD4 (0.50) MAPTALDH1A1HPGDBRD4TP53
SCHEMBL3254912 0.92 BRD4 (0.53) HIF1AMAPTALDH1A1HPGDBRD4
SCHEMBL3254501 0.92 ITK (0.41) HIF1AMAPTALDH1A1HPGDBRD4
SCHEMBL3252939 0.91 BRD4 (0.45) MAPTALDH1A1HPGDBRD4TP53
SCHEMBL3261788 0.91 HIF1A (0.45) HIF1AMAPTALDH1A1HPGDBRD4
SCHEMBL3249059 0.89 MAPT (0.47) MAPTALDH1A1HPGDTP53POLB
SCHEMBL3263281 0.89 BRD4 (0.54) HIF1AMAPTALDH1A1HPGDBRD4
SCHEMBL3246156 0.88 MAPT (0.45) MAPTALDH1A1HPGDTP53POLB
SCHEMBL3253042 0.87 HIF1A (0.47) HIF1AMAPTALDH1A1HPGDBRD4

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