SCHEMBL3247352

SCHEMBL3247352

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CN5CCC4CC5)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
POLB P06746 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PARG Q86W56 1/20 0.37
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 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
SCHEMBL3241960 0.88 KDM4E (0.39) KDM4EPOLBMEN1KMT2ACYP2C9
SCHEMBL3250591 0.86 PARG (0.48) KDM4EPOLBMEN1KMT2ACYP2C9
SCHEMBL3250686 0.84 TDP1 (0.52) POLBHSD17B10PARGTSHRCYP3A4
SCHEMBL3253874 0.84 TDP1 (0.52) POLBHSD17B10PARGTSHRCYP3A4
SCHEMBL3254875 0.83 PARG (0.43) KDM4EPOLBMEN1KMT2ACYP2C9
SCHEMBL3242986 0.82 PARG (0.40) KDM4EPOLBMEN1KMT2ACYP2C9
SCHEMBL3248591 0.82 TAS2R14 (0.43) KDM4EPOLBMEN1KMT2ACYP2C9
SCHEMBL3248324 0.81 PARG (0.42) KDM4EPOLBMEN1KMT2ACYP2C9
SCHEMBL3252092 0.81 KMT2A (0.50) KDM4EPOLBMEN1KMT2ACYP2C9
SCHEMBL3241840 0.81 KDM4E (0.41) KDM4EPOLBMEN1KMT2ACYP2C9

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