SCHEMBL6492444

SCHEMBL6492444

C[Si](C)(C)CCOCn1nc(C=Cc2ccc3c(c2)OCO3)c2c3cc(cc21)N3c1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PTPN1 P18031 1/20 0.34
METAP2 P50579 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTOR P42345 1/20 0.33
VCP P55072 1/20 0.33
APP P05067 1/20 0.33
SNCA P37840 1/20 0.33
MCL1 Q07820 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
SCHEMBL6286068 0.82 KDM4E (0.39) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL6282634 0.81 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL5247119 0.81 PTPN1 (0.41) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL5247115 0.81 PTPN1 (0.41) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL6760466 0.80 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL6760468 0.80 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL5249416 0.79 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL5249412 0.79 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL5247160 0.79 KDR (0.45) SMN1; SMN2LMNAMAPTGAAALDH1A1
SCHEMBL5247154 0.77 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTGAAALDH1A1

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-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed