SCHEMBL18913952

SCHEMBL18913952

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 3/20 0.33
GFER P55789 2/20 0.33
ADRA2C P18825 1/20 0.33
PTK2B Q14289 1/20 0.33
ESR2 Q92731 1/20 0.33
PRKCZ Q05513 1/20 0.32
RAD52 P43351 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL18913915 1.00 KDM4E (0.33) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL18913953 0.85 MAPT (0.36) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL18913912 0.80 MAPT (0.46) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL18913916 0.80 KDM4E (0.36) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL18913819 0.79 MAPT (0.38) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL1989751 0.79 MAPT (0.43) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL1989823 0.79 MAPT (0.43) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL14856415 0.79 MAPT (0.43) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL1982165 0.76 KIF11 (0.47) PRKCZ
SCHEMBL1983143 0.76 KIF11 (0.47) PRKCZ

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