SCHEMBL8715028

SCHEMBL8715028

COCOc1ccc(Cl)cc1C(C#N)c1ncc(N)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
S1PR4 O95977 1/20 0.33
XDH P47989 1/20 0.32
SRC P12931 5/20 0.32
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30

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
SCHEMBL8709941 0.83 L3MBTL1 (0.35) L3MBTL1GAAMAPTALDH1A1KDM4E
SCHEMBL17034855 0.68 GAA (0.40) GAAMAPTALDH1A1LMNAS1PR4
SCHEMBL8712772 0.66 EGFR (0.36) MAPTALDH1A1KDM4EPKMXDH
SCHEMBL16654737 0.66 L3MBTL1 (0.35) L3MBTL1GAAMAPTALDH1A1KDM4E
SCHEMBL2768003 0.65 CYP3A4 (0.44) L3MBTL1GAAMAPTALDH1A1KDM4E
SCHEMBL8712930 0.65 ALDH1A1 (0.32) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL17625677 0.62 ALDH1A1 (0.46) L3MBTL1MAPTALDH1A1KDM4ELMNA
SCHEMBL21608245 0.61 MAPK1 (0.37) ALDH1A1KDM4ELMNA
SCHEMBL21608244 0.61 MAPK1 (0.37) ALDH1A1KDM4ELMNA
SCHEMBL21598726 0.61 MAPK1 (0.37) ALDH1A1KDM4ELMNA

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-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed