SCHEMBL3249085

SCHEMBL3249085

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.38
HPGD P15428 8/20 0.38
MAPT P10636 8/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
HSD17B10 Q99714 6/20 0.37
USP2 O75604 4/20 0.37
POLB P06746 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ADRB2 P07550 1/20 0.37
RECQL P46063 1/20 0.37
ESR1 P03372 1/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 2/20 0.33

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
SCHEMBL3241993 0.90 KDM4E (0.38) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL3250636 0.88 KDM4E (0.38) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL3246046 0.88 KDM4E (0.46) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL3249081 0.85 KDM4E (0.40) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL3249262 0.85 KDM4E (0.43) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL4718691 0.84 KDM4E (0.38) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL3251343 0.84 KDM4E (0.35) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL3250948 0.82 KDM4E (0.46) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL3241807 0.80 KDM4E (0.48) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL3251033 0.80 KDM4E (0.43) KDM4EHPGDMAPTALDH1A1LMNA

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