SCHEMBL7991728

SCHEMBL7991728

CCOC(=O)c1nc(-c2ccc(C#N)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
TARBP2 Q15633 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.48
MDM2 Q00987 1/20 0.48
GCGR P47871 1/20 0.47
ALOX5 P09917 3/20 0.46
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
ALPL P05186 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL7992311 0.89 ALOX5 (0.54) SIRT2ALDH1A1TP53GCGRALOX5
SCHEMBL7989595 0.82 SIRT2 (0.53) SIRT2SIRT1SIRT3TARBP2KMT2A
SCHEMBL7989597 0.82 SIRT2 (0.53) SIRT2SIRT1SIRT3TARBP2KMT2A
SCHEMBL7995219 0.82 RHEB (0.48) LMNAGCGRALOX5MAPTRHEB
SCHEMBL7989526 0.82 SIRT2 (0.50) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7988060 0.82 SIRT2 (0.50) SIRT2SIRT1SIRT3TARBP2ALDH1A1
SCHEMBL7989599 0.81 SIRT2 (0.52) SIRT2SIRT1SIRT3TARBP2ALDH1A1
SCHEMBL7995187 0.81 AR (0.53) SIRT2SIRT1SIRT3TARBP2ALDH1A1
SCHEMBL7991299 0.81 SIRT2 (0.49) SIRT2SIRT1SIRT3TARBP2ALDH1A1
SCHEMBL7988171 0.81 SIRT2 (0.49) SIRT2SIRT1SIRT3TARBP2TP53

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed