SCHEMBL6950958

SCHEMBL6950958

C[Si](C)(C)CCOC(=O)c1c(N)n[nH]c1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HTT P42858 2/20 0.55
▸ MAPK10 P53779 2/20 0.55
▸ NPSR1 Q6W5P4 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.40
▸ GRM6 O15303 2/20 0.39
▸ TSHR P16473 5/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ HPGD P15428 6/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 5/20 0.37
▸ GAA P10253 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36

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
SCHEMBL14710459 0.72 HTT (0.75) SMN1; SMN2HTTMAPK10MAPK1HSD17B10
SCHEMBL19209480 0.70 PDE4D (0.59) SMN1; SMN2HTTMAPK10NPSR1HSD17B10
SCHEMBL13495378 0.68 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPK10NPSR1HSD17B10
SCHEMBL6161826 0.68 KMT2A (0.43) SMN1; SMN2HTTMAPK1HSD17B10KDM4E
SCHEMBL16268584 0.68 HTT (0.65) SMN1; SMN2HTTMAPK10HSD17B10KDM4E
SCHEMBL9714922 0.68 ALDH1A1 (0.44) SMN1; SMN2HTTMAPK10NPSR1MAPK1
SCHEMBL958967 0.67 KDM4E (0.72) SMN1; SMN2HTTMAPK10MAPK1HSD17B10
SCHEMBL9714918 0.67 LMNA (0.54) SMN1; SMN2HTTMAPK10NPSR1MAPK1
SCHEMBL24442343 0.66 PIK3CD (0.52) SMN1; SMN2HTTMAPK10RPS6KA3
SCHEMBL9714945 0.66 HSD17B10 (0.46) SMN1; SMN2HTTMAPK10NPSR1MAPK1

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
EP-1368345-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-10 — — EP disclosed
WO-2002070514-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 — — WO disclosed
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