SCHEMBL5687699

SCHEMBL5687699

CCC/N=C\c1ccc(/C=N\CCC)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
KMT2A Q03164 3/20 0.79
TAAR1 Q96RJ0 1/20 0.42
CA2 P00918 10/20 0.42
CA1 P00915 7/20 0.40
CA9 Q16790 5/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 2/20 0.39
CA12 O43570 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5687703 1.00 ALDH1A1 (0.79) ALDH1A1KMT2ATAAR1CA2CA1
SCHEMBL13310191 0.91 ALDH1A1 (0.68) ALDH1A1KMT2ATAAR1CA2CA1
SCHEMBL20824903 0.91 ALDH1A1 (0.68) ALDH1A1KMT2ATAAR1CA2CA1
SCHEMBL12389205 0.89 ALDH1A1 (1.00) ALDH1A1KMT2ATAAR1CA2CA1
SCHEMBL5235095 0.88 KMT2A (0.64) ALDH1A1KMT2ATAAR1CA2CA1
SCHEMBL7911619 0.88 KMT2A (0.64) ALDH1A1KMT2ATAAR1CA2CA1
SCHEMBL6289914 0.88 KMT2A (0.64) ALDH1A1KMT2ATAAR1CA2CA1
SCHEMBL15367607 0.85 ALDH1A1 (0.61) ALDH1A1KMT2ATAAR1CA2CA1
SCHEMBL20871106 0.85 ALDH1A1 (0.61) ALDH1A1KMT2ACA2CA1CA9
SCHEMBL6034577 0.85 ALDH1A1 (0.61) ALDH1A1KMT2ACA2CA1CA9

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
WO-2017178775-A1 POLYMER COMPOSITION COMPRISING CROSSLINKED SILICONES WITH EXCHANGEABLE CROSSLINKING POINTS, PREPARATION METHOD AND USES ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-10-19 WO disclosed
EP-1478651-B1 PREPARATION OF N-SUBSTITUTED AMINOORGANOSILANES GEN ELECTRIC (US) 2006-02-08 EP disclosed
EP-1478651-A1 PREPARATION OF N-SUBSTITUTED AMINOORGANOSILANES GENERAL ELECTRIC COMPANY (US) 2004-11-24 EP disclosed
WO-2003070734-A1 PREPARATION OF N-SUBSTITUTED AMINOORGANOSILANES GENERAL ELECTRIC COMPANY (US) 2003-08-28 WO disclosed
US-6448425-B1 N-CYCLOALKYLAMINOALKYLSILANES BY HYDROGENATING N-ARYLAMINO-ALKYLSILANES; PALLADIUM, PLATINUM, NICKEL, RHENIUM, RHODIUM, RUTHENIUM, COPPER CHROMITE CATALYST; N-CYCLOHEXYL-3-AMINOPROPYLTRIMETHOXYSILANE FROM CROMPTON CORPORATION 2002-09-10 US disclosed