SCHEMBL16404142

SCHEMBL16404142

COc1cccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 6/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
MEN1 O00255 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PAX8 Q06710 1/20 0.52
TP53 P04637 2/20 0.50
BRD4 O60885 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 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
SCHEMBL14318379 0.85 LMNA (0.53) HTTLMNAKMT2ANPC1RAB9A
SCHEMBL16404131 0.83 NPC1 (0.54) HTTLMNAKMT2ANPC1RAB9A
SCHEMBL16404109 0.82 NPC1 (0.49) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL14318277 0.81 MAPT (0.54) HTTLMNAKMT2ANPC1RAB9A
SCHEMBL16404095 0.81 NPC1 (0.57) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL16404099 0.79 GRM5 (0.48) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL12519402 0.78 HTT (0.66) HTTLMNAKMT2ANPC1RAB9A
SCHEMBL16404094 0.78 RAB9A (0.54) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL2533808 0.78 THRB (0.65) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL12519404 0.78 HTT (0.64) HTTLMNAKMT2ANPC1RAB9A

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-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed