SCHEMBL16270327

SCHEMBL16270327

Cc1ccc(CNC(=O)NCC(=O)N(C)c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 3/20 0.79
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ PPID Q08752 2/20 0.53
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PPIG Q13427 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL12643950 0.88 PPIB (1.00) PPIBSMN1; SMN2PPIDPPIG
SCHEMBL15834714 0.88 PPIB (0.62) PPIBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16270317 0.85 PPIB (0.80) PPIBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14617669 0.83 SMN1; SMN2 (0.68) PPIBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16270326 0.81 PPIB (0.54) PPIBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13049648 0.81 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2ANPC1HPGD
SCHEMBL16270338 0.81 SMN1; SMN2 (0.65) PPIBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14617679 0.79 PPIB (0.58) PPIBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14617667 0.79 SMN1; SMN2 (0.81) SMN1; SMN2MEN1KMT2ANPC1HPGD
SCHEMBL2730689 0.77 SMN1; SMN2 (0.85) SMN1; SMN2MEN1KMT2ANPC1HPGD

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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