SCHEMBL5361341

SCHEMBL5361341

COc1cc(C(=O)C(C)C)c(N)cc1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL5350560 0.84 KDM4E (0.44) KDM4EPOLBGAAGFER
SCHEMBL10518971 0.82 CYP3A4 (0.41) KDM4EPOLBGAAALDH1A1
SCHEMBL3125277 0.81 KDM4E (0.53) KDM4EPOLBGAAGFERALDH1A1
SCHEMBL3899027 0.79 KDM4E (0.77) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL2601960 0.79 KDM4E (0.61) KDM4EPOLBGAAALDH1A1LMNA
SCHEMBL9999181 0.77 HTT (0.41) KDM4EGAAALDH1A1LMNAHTT
SCHEMBL10629350 0.75 KDM4E (0.56) KDM4EGAAALDH1A1LMNA
SCHEMBL10520470 0.74 KDM4E (0.53) KDM4EPOLBGAAALDH1A1LMNA
SCHEMBL29918238 0.74 KDM4E (0.53) KDM4EPOLBGAAGFERALDH1A1
SCHEMBL3549850 0.74 KDM4E (0.53) KDM4EPOLBGAAALDH1A1LMNA

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
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed