SCHEMBL7920316

SCHEMBL7920316

CC(c1ccccc1OC#N)[Si](Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.31
AR P10275 1/20 0.31
SGMS2 Q8NHU3 7/20 0.31
LMNA P02545 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7906970 0.81 ALDH1A1 (0.33) ALDH1A1ARNISCH
SCHEMBL28330769 0.80 CA1 (0.48) ALDH1A1
SCHEMBL1789840 0.80 AR (0.34) ALDH1A1ARSGMS2LMNAHTR2A
SCHEMBL7916958 0.79 PKM (0.30)
SCHEMBL7917080 0.78 ADRA2A (0.33) ALDH1A1LMNANISCHKDM4ECYP1A2
SCHEMBL27228694 0.75 ALDH1A1 (0.33) ALDH1A1SGMS2LMNA
SCHEMBL8713730 0.74 GABRA1 (0.39) ALDH1A1LMNACYP1A2
SCHEMBL8601635 0.72 KMT2A (0.32) SLC6A4KDM4E
SCHEMBL9419414 0.72 TRPA1 (0.34) ALDH1A1SGMS2LMNA
SCHEMBL1325513 0.71 GPR84 (0.36) ALDH1A1SGMS2LMNAKDM4ECYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217943-B1 ADHESION AND REINFORCEMENT WITH SILANE CYANATE COUPLERS 3M INNOVATIVE PROPERTIES COMPANY 2001-04-17 US disclosed
US-5912377-A CONTAINING AT LEAST ONE CYANATE ESTER GROUP AND HYDROLYZABLE SILYL GROUP; REINFORCED COMPOSITES, ADESIVES, COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-15 US disclosed
EP-0830410-B1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING & MFG (US) 1999-04-07 EP disclosed
EP-0830410-A1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-25 EP disclosed
WO-1996039457-A1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-12 WO disclosed