SCHEMBL4760872

SCHEMBL4760872

CN(CCc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 6/20 0.50
MAPT P10636 6/20 0.50
HPGD P15428 5/20 0.50
LMNA P02545 4/20 0.50
GLA P06280 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ADRB2 P07550 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 3/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL3251841 0.91 MAPT (0.51) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3241904 0.90 KDM4E (0.46) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3250948 0.89 KDM4E (0.46) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL4162755 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3251033 0.86 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3241807 0.86 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3249262 0.86 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3248331 0.85 KDM4E (0.60) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3244815 0.85 KDM4E (0.54) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3248232 0.84 HSD17B10 (0.47) ALDH1A1KDM4EMAPTHPGDLMNA

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