SCHEMBL3250472

SCHEMBL3250472

CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)CC(=O)OC(C)(C)C)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
PARP1 P09874 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 12/20 0.33
LMNA P02545 5/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
ESR1 P03372 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
THRB P10828 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3241913 0.90 KDM4E (0.51) KDM4ERXFP1USP2HPGDHSD17B10
SCHEMBL3251343 0.89 KDM4E (0.35) KDM4EPARP1RXFP1USP2HPGD
SCHEMBL3251804 0.87 KDM4E (0.40) KDM4EPARP1RXFP1USP2HPGD
SCHEMBL3241920 0.86 KDM4E (0.38) KDM4ERXFP1USP2HPGDHSD17B10
SCHEMBL3253823 0.85 KDM4E (0.38) KDM4ERXFP1USP2HPGDHSD17B10
SCHEMBL3252457 0.85 KDM4E (0.38) KDM4ERXFP1USP2HPGDHSD17B10
SCHEMBL3253991 0.84 KDM4E (0.36) KDM4ERXFP1USP2HPGDHSD17B10
SCHEMBL3249082 0.83 KDM4E (0.46) KDM4ERXFP1USP2HPGDHSD17B10
Hydrochloric Acid SCHEMBL3244592 0.83 KDM4E (0.39) KDM4ERXFP1USP2HPGDHSD17B10
SCHEMBL3253929 0.83 HSD17B10 (0.36) KDM4ERXFP1USP2HPGDHSD17B10

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