SCHEMBL16270338

SCHEMBL16270338

Cc1ccc(CNC(=O)NCC(=O)N(C)CCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ PPID Q08752 2/20 0.53
▸ PPIB P23284 2/20 0.53
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ EPHX1 P07099 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ PPIG Q13427 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LTB4R Q15722 2/20 0.45

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
SCHEMBL14575947 0.89 PPIB (0.68) SMN1; SMN2PPIDPPIBKMT2ANPC1
SCHEMBL14617669 0.87 SMN1; SMN2 (0.68) SMN1; SMN2PPIDPPIBMEN1KMT2A
SCHEMBL13049648 0.81 SMN1; SMN2 (1.00) SMN1; SMN2PPIDMEN1KMT2ANPC1
SCHEMBL16270327 0.81 PPIB (0.79) SMN1; SMN2PPIDPPIBMEN1KMT2A
SCHEMBL14617667 0.78 SMN1; SMN2 (0.81) SMN1; SMN2PPIDMEN1KMT2ANPC1
SCHEMBL12133488 0.78 LTB4R (0.50) MEN1KMT2ANPC1RAB9ALTB4R
SCHEMBL14617672 0.78 SMN1; SMN2 (0.70) SMN1; SMN2PPIDMEN1KMT2ANPC1
SCHEMBL24096202 0.77 HPGD (0.53) KMT2AHPGDEPHX1ALDH1A1EPHX2
SCHEMBL15832147 0.76 SMN1; SMN2 (0.67) SMN1; SMN2PPIDMEN1KMT2ANPC1
SCHEMBL12643766 0.76 PPIB (0.71) SMN1; SMN2PPIDPPIBKMT2ANPC1

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
Send feedback