SCHEMBL8328538

SCHEMBL8328538

Cc1ccnc(NC(=O)C(C)(C)C)c1N(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TOP2A P11388 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
CFTR P13569 2/20 0.34
ADORA1 P30542 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL5677073 0.76 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL8333653 0.76 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL8329748 0.76 NOS2 (0.44) L3MBTL1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL2494002 0.74 RAB9A (0.59) L3MBTL1LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL8328435 0.74 NOS2 (0.46) L3MBTL1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL8325531 0.72 LMNA (0.38) L3MBTL1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL27689557 0.72 L3MBTL1 (0.45) L3MBTL1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL8613491 0.70 L3MBTL1 (0.53) L3MBTL1LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL2601270 0.68 NPC1 (0.52) L3MBTL1ALDH1A1MAPTKDM4EATM
SCHEMBL26686118 0.68 L3MBTL1 (0.42) L3MBTL1LMNAALDH1A1CYP1A2CYP3A4

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-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed