SCHEMBL18949030

SCHEMBL18949030

CCc1ccc2[nH]c(C(C)(C)C)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE2A O00408 1/20 0.33
SCN10A Q9Y5Y9 2/20 0.32
KCNH2 Q12809 1/20 0.32
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
DDAH1 O94760 1/20 0.30

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
SCHEMBL22244252 0.78 DGAT2 (0.39) DGAT2L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL12205496 0.78 L3MBTL1 (0.41) DGAT2L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL12231815 0.76 DDAH1 (0.48) L3MBTL1ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL10120015 0.74 DGAT2 (0.37) DGAT2L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL25833558 0.71 HSD17B10 (0.41) ADORA3ADORA2AADORA1ALDH1A1DDAH1
SCHEMBL11916062 0.69 NUDT1 (0.55) SMN1; SMN2
SCHEMBL15935288 0.69 L3MBTL1 (0.36) DGAT2L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL868599 0.69 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1SMN1; SMN2SCN10AKCNH2
SCHEMBL12438210 0.68 HTT (0.44) L3MBTL1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL12438207 0.68 ALDH1A1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2SCN10AKCNH2

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed