SCHEMBL16270336

SCHEMBL16270336

Cc1ccc(CNC(=O)NCC(=O)NCc2ccc(COc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ HTT P42858 2/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HPGD P15428 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ GID4 Q8IVV7 1/20 0.51
▸ MAPK14 Q16539 1/20 0.50
▸ PPID Q08752 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49

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
SCHEMBL14576313 0.88 PPIB (0.56) LMNASMN1; SMN2KMT2AMEN1HPGD
SCHEMBL14617667 0.87 SMN1; SMN2 (0.81) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL14900387 0.83 KMT2A (0.71) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL17656854 0.80 KMT2A (0.79) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL16270332 0.79 MEN1 (0.61) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL14617672 0.78 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1HPGDNPC1
SCHEMBL13049648 0.78 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1HPGDNPC1
SCHEMBL10133176 0.77 NPC1 (0.67) LMNASMN1; SMN2KMT2AMEN1HPGD
SCHEMBL2036022 0.77 LMNA (0.66) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL13652546 0.76 LMNA (0.61) LMNASMN1; SMN2KMT2AMEN1HTT

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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