SCHEMBL8328435

SCHEMBL8328435

CCCc1c(C)ccnc1NC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 2/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.36
AR P10275 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOS3 P29474 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TOP2A P11388 1/20 0.34

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
SCHEMBL8329748 0.88 NOS2 (0.44) NOS2L3MBTL1ATMLMNAALDH1A1
SCHEMBL8325531 0.82 LMNA (0.38) L3MBTL1ATMLMNAALDH1A1AR
SCHEMBL8259796 0.77 LMNA (0.41) NOS2L3MBTL1LMNAALDH1A1AR
SCHEMBL12844413 0.77 GRM5 (0.46) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL8328538 0.74 L3MBTL1 (0.41) L3MBTL1ATMLMNAALDH1A1CYP1A2
SCHEMBL8333653 0.74 L3MBTL1 (0.41) L3MBTL1ATMLMNAALDH1A1CYP1A2
SCHEMBL5677073 0.74 L3MBTL1 (0.41) L3MBTL1ATMLMNAALDH1A1CYP1A2
SCHEMBL4902037 0.73 PDE11A (0.40) L3MBTL1LMNAALDH1A1ARSMN1; SMN2
SCHEMBL2494002 0.72 RAB9A (0.59) L3MBTL1ATMLMNAALDH1A1SMN1; SMN2
SCHEMBL19310488 0.71 NOS2 (0.47) NOS2ATMLMNAALDH1A1SMN1; SMN2

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
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO disclosed