SCHEMBL3249262

SCHEMBL3249262

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
MAPT P10636 9/20 0.43
HPGD P15428 8/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 5/20 0.43
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 7/20 0.42
USP2 O75604 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ADRB2 P07550 1/20 0.42
RECQL P46063 1/20 0.42
GLA P06280 1/20 0.40
ESR1 P03372 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3250948 0.89 KDM4E (0.46) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL13928162 0.87 KDM4E (0.42) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL3251033 0.87 KDM4E (0.43) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL3241807 0.87 KDM4E (0.48) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL3248331 0.86 KDM4E (0.60) KDM4EMAPTHPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL3256093 0.86 KDM4E (0.41) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL3244815 0.86 KDM4E (0.54) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL4760872 0.86 ALDH1A1 (0.50) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL3253590 0.86 KDM4E (0.42) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL3248232 0.85 HSD17B10 (0.47) KDM4EMAPTHPGDALDH1A1LMNA

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