SCHEMBL3250557

SCHEMBL3250557

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
BRAF P15056 1/20 0.37
PDPK1 O15530 1/20 0.36
CDK1 P06493 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 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
SCHEMBL3241840 0.91 KDM4E (0.41) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3247431 0.88 MAPT (0.48) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3248591 0.88 TAS2R14 (0.43) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3252092 0.86 KMT2A (0.50) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3255332 0.85 ADORA3 (0.40) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3243041 0.85 WEE1 (0.38) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3255978 0.85 FEN1 (0.39) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3250430 0.85 HSD17B10 (0.45) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3250743 0.84 KDM4E (0.39) MAPTKDM4EMEN1KMT2AHSD17B10
SCHEMBL3253160 0.84 MEN1 (0.51) MAPTKDM4EMEN1KMT2AHSD17B10

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