SCHEMBL3241840

SCHEMBL3241840

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 2/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN11 Q06124 1/20 0.35
CASP3 P42574 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL3250557 0.91 MAPT (0.41) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3247431 0.89 MAPT (0.48) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3248591 0.89 TAS2R14 (0.43) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3252092 0.89 KMT2A (0.50) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3253160 0.87 MEN1 (0.51) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3243041 0.86 WEE1 (0.38) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3251774 0.86 CASP3 (0.52) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3255978 0.86 FEN1 (0.39) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3249059 0.85 MAPT (0.47) KDM4EMEN1KMT2AHSD17B10POLB
SCHEMBL3250591 0.85 PARG (0.48) KDM4EMEN1KMT2AHSD17B10POLB

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