SCHEMBL6559299

SCHEMBL6559299

CCS(=O)(=O)CCCCCCNC1CC(C)(C)Oc2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 4/20 0.43
KCNQ1 P51787 4/20 0.43
SIRT2 Q8IXJ6 4/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
KCND3 Q9UK17 1/20 0.42
SIRT1 Q96EB6 2/20 0.39
ABCC9 O60706 2/20 0.38
ABCB1 P08183 8/20 0.38
KDM4E B2RXH2 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL6560865 1.00 KCNE1 (0.43) KCNE1KCNQ1SIRT2MEN1CYP1A2
SCHEMBL6559240 0.96 KCNE1 (0.44) KCNE1KCNQ1SIRT2MEN1CYP1A2
SCHEMBL6560804 0.85 TRPV1 (0.48) KCNE1KCNQ1CYP3A4TRPV1
SCHEMBL6559967 0.83 SIRT2 (0.37) SIRT2SIRT1TRPV1
SCHEMBL6559536 0.83 SIRT2 (0.37) SIRT2SIRT1TRPV1
SCHEMBL6558219 0.82 TRPV1 (0.39) SIRT2MEN1KMT2ASIRT1KDM4E
SCHEMBL6559514 0.82 TRPV1 (0.39) SIRT2MEN1KMT2ASIRT1KDM4E
SCHEMBL6558741 0.81 TRPV1 (0.33) SIRT2TRPV1
SCHEMBL6559265 0.81 TRPV1 (0.38) SIRT2CYP1A2CYP2C19SIRT1TRPV1
SCHEMBL6559316 0.81 TRPV1 (0.38) SIRT2CYP1A2CYP2C19SIRT1TRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed