SCHEMBL11413367

SCHEMBL11413367

Cc1ccc(CC(NN)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SOAT1 P35610 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PSMB5 P28074 1/20 0.43
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL7039441 0.87 HTT (0.51) SMN1; SMN2CYP1A2CYP2D6CYP2C9SOAT1
SCHEMBL18065741 0.87 HTT (0.51) SMN1; SMN2CYP1A2CYP2D6CYP2C9SOAT1
SCHEMBL11099393 0.84 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
Hydrochloric Acid SCHEMBL5314703 0.80 MEN1 (0.52) SMN1; SMN2CYP1A2CYP2D6MEN1KMT2A
SCHEMBL5272038 0.79 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL5269597 0.79 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL7858623 0.79 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL13676380 0.79 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL14380840 0.77 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL2785514 0.77 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229463-A ANTICHOLESTEROL AGENTS FOR REDUCING CHOLESTEROL ESTER CONTENT OF ARTERIAL WALLS SANDOZ, INC. (US) 1980-10-21 US disclosed
US-4201785-A ANTICHOLESTEROL AGENTS SANDOZ INC. (US) 1980-05-06 US disclosed