SCHEMBL2916686

SCHEMBL2916686

Cc1cc(C)cc(NC(=O)c2cccnc2SCc2cccc3cccnc23)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
KDR P35968 3/20 0.47
GAA P10253 1/20 0.46
EGLN1 Q9GZT9 2/20 0.45
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2916924 0.84 KDR (0.53) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL2908962 0.84 KDR (0.67) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL2916664 0.81 LMNA (0.49) RAB9AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1496388 0.81 SMN1; SMN2 (0.51) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4015002 0.81 KDR (0.71) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1496368 0.80 KDR (0.51) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL1496291 0.80 KDM4E (0.47) NPC1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4020286 0.80 KDR (0.58) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL2908904 0.80 KDR (0.46) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL1939965 0.80 KDR (0.50) NPC1KMT2AMEN1ALDH1A1KDM4E

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
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP claimed