SCHEMBL18913951

SCHEMBL18913951

C[Si](C)(C)c1ccc(N2[C@H](c3ccc([N+](=O)[O-])cc3)CC[C@H]2c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT6 Q8N6T7 2/20 0.43
PDE5A O76074 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.40
ADRB1 P08588 1/20 0.40
NR3C2 P08235 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL18913913 0.87 MAPT (0.43) MAPTALDH1A1HTTSMN1; SMN2SIRT6
SCHEMBL18913912 0.87 MAPT (0.46) MAPTALDH1A1HTTSMN1; SMN2SIRT6
SCHEMBL18913818 0.86 MAPT (0.44) MAPTALDH1A1HTTSMN1; SMN2SIRT6
SCHEMBL1982952 0.81 MAPT (0.47) MAPTALDH1A1HTTSMN1; SMN2SIRT6
SCHEMBL1987813 0.81 MEN1 (0.46) MAPTALDH1A1HTTSMN1; SMN2SIRT6
SCHEMBL1984022 0.81 POLB (0.62) MAPTALDH1A1HTTSMN1; SMN2SIRT6
SCHEMBL6123191 0.81 POLB (0.62) MAPTALDH1A1HTTSMN1; SMN2SIRT6
SCHEMBL1982068 0.81 POLB (0.62) MAPTALDH1A1HTTSMN1; SMN2SIRT6
SCHEMBL1984298 0.81 ALDH1A1 (0.51) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL1982735 0.81 AKR1C3 (0.56) MAPTALDH1A1SMN1; SMN2SIRT6MEN1

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
WO-2017088730-A1 SILICONE-CONTAINING COMPOUND FOR RESISTING HEPATITIS C VIRUS INFECTION 正大天晴药业集团股份有限公司 2017-06-01 WO disclosed