SCHEMBL3250842

SCHEMBL3250842

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CC5CNCC5C4)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.37
THRB P10828 1/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3252092 0.88 KMT2A (0.50) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3251347 0.87 KMT2A (0.46) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3253160 0.86 MEN1 (0.51) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3251774 0.85 CASP3 (0.52) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3241840 0.84 KDM4E (0.41) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3250557 0.83 MAPT (0.41) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3247431 0.81 MAPT (0.48) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3248591 0.81 TAS2R14 (0.43) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3250591 0.81 PARG (0.48) KDM4EKMT2AMEN1POLBCYP2C9
SCHEMBL3250743 0.81 KDM4E (0.39) KDM4EKMT2AMEN1POLBCYP2C9

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