SCHEMBL3249082

SCHEMBL3249082

CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)CCC#N)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 6/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 4/20 0.36
USP2 O75604 3/20 0.36
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 5/20 0.32
ESR1 P03372 1/20 0.32
MEN1 O00255 3/20 0.32
HTT P42858 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRB2 P07550 1/20 0.32
RECQL P46063 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
SCHEMBL3253823 0.92 KDM4E (0.38) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL3241920 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL3252457 0.89 KDM4E (0.38) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL3253991 0.88 KDM4E (0.36) KDM4EALDH1A1HPGDGLAMAPT
Hydrochloric Acid SCHEMBL3244592 0.87 KDM4E (0.39) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL3249780 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL3241913 0.87 KDM4E (0.51) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL3254795 0.85 SIGMAR1 (0.42) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL3250883 0.84 RXFP1 (0.40) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL3253929 0.83 HSD17B10 (0.36) KDM4EALDH1A1HPGDMAPTLMNA

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