SCHEMBL7230490

SCHEMBL7230490

C[SiH](C)Oc1ccnc(-c2cccc(N)c2)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
KARS1 Q15046 1/20 0.35
SYK P43405 2/20 0.34
MEN1 O00255 2/20 0.34
PSIP1 O75475 1/20 0.34
AXL P30530 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CDK5 Q00535 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK5R1 Q15078 1/20 0.33
AURKA O14965 1/20 0.33
FYN P06241 2/20 0.33
PDE10A Q9Y233 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
SCHEMBL7232501 0.80 PDE4D (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL7230885 0.79 CYP17A1 (0.34) MAP4K4ALDH1A1POLBGFERKARS1
SCHEMBL7236710 0.73 NPFFR1 (0.34)
SCHEMBL7230871 0.66 MAP4K4 (0.50) MAP4K4ALDH1A1POLBGFERSYK
SCHEMBL7230492 0.66 MAP4K4 (0.43) MAP4K4ALDH1A1POLBGFERMEN1
SCHEMBL7229215 0.64 CYP2A6 (0.56) MAP4K4ALDH1A1POLBGFERMEN1
SCHEMBL23670989 0.63 ASIC3 (0.50) MAP4K4ALDH1A1POLBGFERKARS1
SCHEMBL27339880 0.63 MAP4K4 (0.58) MAP4K4ALDH1A1POLBGFERMEN1
SCHEMBL29161794 0.62 MAOA (0.42) MAP4K4ALDH1A1GFERMEN1PSIP1
SCHEMBL2686693 0.62 MAP4K4 (0.58) MAP4K4MEN1PSIP1AXLMKNK1

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-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed