SCHEMBL11566534

SCHEMBL11566534

CCNC(=O)Cc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
PTGS2 P35354 1/20 0.53
MAPK14 Q16539 1/20 0.50
PPARD Q03181 10/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ABL1 P00519 1/20 0.47
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL11564606 0.83 PPARD (0.62) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL9451982 0.82 MAPT (0.50) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL11563534 0.82 MEN1 (0.60) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL9451959 0.80 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL9451931 0.79 PTGS2 (0.58) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL9451876 0.79 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL9452000 0.78 LMNA (0.50) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL9451868 0.78 PTGS2 (0.48) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL9451865 0.78 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL9451934 0.78 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ELMNAGAA

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-4168315-A ANTICOAGULANTS THE UPJOHN COMPANY (US) 1979-09-18 US disclosed