SCHEMBL28068667

SCHEMBL28068667

Cc1cc(C(C)(C)C)c(C#N)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CA2 P00918 1/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
HSPA5 P11021 1/20 0.41
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
HIF1A Q16665 3/20 0.39
HPGD P15428 5/20 0.37
KDM4E B2RXH2 5/20 0.37
GLA P06280 4/20 0.37
GAA P10253 4/20 0.37
SQOR Q9Y6N5 1/20 0.36
HSD17B10 Q99714 3/20 0.35
TP53 P04637 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 4/20 0.33
ALOX15 P16050 3/20 0.33
CYP1A2 P05177 3/20 0.33

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
SCHEMBL2154550 0.90 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL27318671 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL2153658 0.81 KIF11 (0.39) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL80564 0.79 KDM4E (0.55) ALDH1A1POLBCYP2C19HPGDKDM4E
SCHEMBL23221325 0.78 HSPA5 (0.49) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL28068634 0.76 HSPA5 (0.47) ALDH1A1SMN1; SMN2HSPA5CYP2C9CYP2C19
SCHEMBL26064231 0.76 L3MBTL1 (0.33) ALDH1A1SMN1; SMN2HSPA5CYP2C9CYP2C19
SCHEMBL16122696 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CA2CYP2C9CYP2C19
SCHEMBL25491422 0.74 KDM4E (0.36) ALDH1A1CYP2C19HPGDKDM4EGLA
SCHEMBL28248528 0.74 GAA (0.36) ALDH1A1SMN1; SMN2HSPA5CYP2C9CYP2C19

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