SCHEMBL3245587

SCHEMBL3245587

Cc1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.48
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HTR6 P50406 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.41
KIT P10721 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PKM P14618 2/20 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
SCHEMBL3248556 0.93 MAPT (0.50) MAPTALDH1A1TP53POLBMEN1
SCHEMBL3249236 0.90 BRD4 (0.60) BRD4MAPTHTR6POLB
SCHEMBL3246043 0.89 BRD4 (0.48) BRD4MAPTALDH1A1HTR6TP53
SCHEMBL3251476 0.89 BRD4 (0.48) BRD4MAPTHTR6TP53POLB
SCHEMBL3251641 0.89 BRD4 (0.61) BRD4MAPTALDH1A1HTR6PKM
SCHEMBL3246250 0.88 HIF1A (0.53) BRD4MAPTALDH1A1HPGDTP53
SCHEMBL3245585 0.88 BRD4 (0.50) BRD4MAPTALDH1A1HPGDTP53
SCHEMBL3251084 0.87 MAPT (0.50) MAPTALDH1A1HPGDTP53POLB
SCHEMBL3241818 0.85 BRD4 (0.62) BRD4ALDH1A1HTR6MEN1KMT2A
SCHEMBL4162500 0.85 PTGDR2 (0.45) BRD4MAPTALDH1A1HPGDHTR6

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 4 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
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed