SCHEMBL11228558

SCHEMBL11228558

CNc1nc2cc(C)cc(C)c2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.56
KDM4E B2RXH2 4/20 0.44
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.39
SHMT2 P34897 1/20 0.37
LMNA P02545 3/20 0.36
LDHA P00338 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CRHR1 P34998 1/20 0.36
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL15274399 0.79 KMT2A (0.66) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL2171105 0.78 SMN1; SMN2 (0.66) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL1747979 0.74 SMN1; SMN2 (0.61) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL30944287 0.74 SMN1; SMN2 (1.00) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL10991202 0.74 SMN1; SMN2 (1.00) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL4819924 0.74 RAPGEF4 (0.53) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL11848824 0.73 NPC1 (0.44) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL30862384 0.73 NPC1 (0.44) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL26458871 0.73 NPC1 (1.00) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL11850147 0.72 DYRK1A (0.64) SMN1; SMN2KMT2ANPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57067566-A None JP disclosed
JP-S5767566-A PRODUCTION OF BENZOTHIAZOLE DERIVATIVE NIPPON SODA CO LTD 1982-04-24 JP disclosed