SCHEMBL3249686

SCHEMBL3249686

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.35
HSD17B10 Q99714 6/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 3/20 0.35
HPGD P15428 3/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 5/20 0.34
ESR1 P03372 1/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADRB2 P07550 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL3250883 0.91 RXFP1 (0.40) KDM4EHSD17B10ALDH1A1USP2HPGD
SCHEMBL3246010 0.87 KDM4E (0.40) KDM4EHSD17B10ALDH1A1USP2HPGD
SCHEMBL3243030 0.86 MAPT (0.34) KDM4EHSD17B10ALDH1A1USP2HPGD
SCHEMBL3249777 0.85 ALOX5AP (0.33)
SCHEMBL3241920 0.85 KDM4E (0.38) KDM4EHSD17B10ALDH1A1USP2HPGD
Hydrochloric Acid SCHEMBL3250075 0.85 MAPT (0.32) KDM4EHSD17B10ALDH1A1USP2HPGD
SCHEMBL3252457 0.84 KDM4E (0.38) KDM4EHSD17B10ALDH1A1USP2HPGD
SCHEMBL3241913 0.83 KDM4E (0.51) KDM4EHSD17B10ALDH1A1USP2HPGD
SCHEMBL3253991 0.83 KDM4E (0.36) KDM4EHSD17B10ALDH1A1USP2HPGD
SCHEMBL3255160 0.83 MAPT (0.38) KDM4EHSD17B10ALDH1A1USP2HPGD

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