SCHEMBL19840342

SCHEMBL19840342

CC(C)Nc1nc2ccc(C(C)C)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SCN4A P35499 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK14 Q16539 13/20 0.49
LRRK2 Q5S007 1/20 0.47
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
ALOX5 P09917 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL13201319 0.85 NPC1 (0.61) NPC1RAB9ASCN4ASMN1; SMN2MEN1
SCHEMBL25430401 0.84 NPC1 (0.64) NPC1RAB9ASCN4ASMN1; SMN2MEN1
SCHEMBL7861426 0.83 RAB9A (0.55) NPC1RAB9ASCN4ASMN1; SMN2MEN1
SCHEMBL24407054 0.83 NPC1 (0.55) NPC1RAB9ASCN4ASMN1; SMN2MEN1
SCHEMBL18058957 0.82 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15139320 0.81 NPC1 (0.56) NPC1RAB9ASCN4ASMN1; SMN2MEN1
SCHEMBL4499710 0.81 MAPK14 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10118915 0.81 MAPK14 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23510530 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12368479 0.81 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed