SCHEMBL28068634

SCHEMBL28068634

CCc1cc(C(C)(C)C)c(C#N)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.47
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 8/20 0.34
GAA P10253 5/20 0.34
KDM4E B2RXH2 4/20 0.34
GLA P06280 3/20 0.34
HPGD P15428 3/20 0.34
SQOR Q9Y6N5 1/20 0.34
TSHR P16473 5/20 0.33
LMNA P02545 5/20 0.33
MAPT P10636 4/20 0.33
HSD17B10 Q99714 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
BLM P54132 3/20 0.32
KMT2A Q03164 3/20 0.32
HIF1A Q16665 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32

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
SCHEMBL28248528 0.82 GAA (0.36) HSPA5ALDH1A1GAAKDM4EGLA
SCHEMBL26064231 0.79 L3MBTL1 (0.33) HSPA5ALDH1A1GAAKDM4EGLA
SCHEMBL2153658 0.76 KIF11 (0.39) CYP2A6ALDH1A1GAAKDM4EGLA
SCHEMBL28068667 0.76 ALDH1A1 (0.50) HSPA5CYP2A6ALDH1A1GAAKDM4E
SCHEMBL20889630 0.75 CYP2A6 (0.44) HSPA5CYP2A6ALDH1A1KDM4EHPGD
SCHEMBL28127106 0.74 PGK1 (0.46) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL25477939 0.73 HSPA5 (0.53) HSPA5ALDH1A1GAAKDM4EHPGD
SCHEMBL2177579 0.73 HSPA5 (0.53) HSPA5ALDH1A1GAAKDM4EHPGD
SCHEMBL1930161 0.71 HSPA5 (0.52) HSPA5ALDH1A1GAAKDM4EHPGD
SCHEMBL39434 0.71 HSPA5 (0.74) HSPA5ALDH1A1GAAKDM4EHPGD

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
CN-106083927-A Phosphinyl amidine compound, metal complex, antigravity system and their oligomeric or purposes of olefin polymerization 切弗朗菲利浦化学公司 2016-11-09 CN disclosed
CN-102781949-B Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use for oligomerizing or polymerizing olefins 切弗朗菲利浦化学公司 2016-07-06 CN disclosed