SCHEMBL16270332

SCHEMBL16270332

COc1cccc(CNC(=O)CNC(=O)NCc2ccc(C)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ MMP13 P45452 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ POLB P06746 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MAPT P10636 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ EPHX2 P34913 2/20 0.55

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
SCHEMBL12643953 0.89 ALDH1A1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL3815151 0.84 ALDH1A1 (0.72) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL14617667 0.83 SMN1; SMN2 (0.81) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL2037882 0.80 PPID (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL5334260 0.80 MMP13 (0.85) MEN1KMT2ASMN1; SMN2ALDH1A1MMP13
SCHEMBL16270336 0.79 LMNA (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL13940425 0.78 MMP13 (0.90) SMN1; SMN2ALDH1A1HTTMMP13HPGD
SCHEMBL16270320 0.78 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL934348 0.77 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1HTTMMP13POLB
SCHEMBL13853495 0.77 ALDH1A1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1HTT

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-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
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