SCHEMBL8305563

SCHEMBL8305563

CC(C)(C)c1ccc(C(N)C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
PDE2A O00408 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GMNN O75496 1/20 0.36
DRD1 P21728 1/20 0.36
DRD3 P35462 1/20 0.36
CCR2 P41597 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15775923 0.79 KIF11 (0.44) KIF11TSHRPDE2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL15775480 0.78 KIF11 (0.42) KIF11TSHRPDE2AALDH1A1KDM4E
SCHEMBL22363709 0.77 HDAC4 (0.37) KIF11TSHRALDH1A1MAPTNPC1
SCHEMBL11043704 0.77 KIF11 (0.45) KIF11TSHRLMNATYRPDE2A
SCHEMBL31259082 0.76 FFAR1 (0.42) KIF11TSHRLMNATYRALDH1A1
SCHEMBL11452811 0.76 ALDH1A1 (0.42) LMNAALDH1A1MAPTTDP1KDM4E
SCHEMBL15775533 0.76 HTT (0.40) LMNATYRALDH1A1MAPTHPGD
SCHEMBL1199765 0.75 TSHR (0.54) KIF11TSHRLMNATYRALDH1A1
SCHEMBL18892170 0.75 TSHR (0.48) KIF11TSHRLMNATYRPDE2A
SCHEMBL6683728 0.75 TSHR (0.48) KIF11TSHRLMNATYRPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103030575-B Double-cyano acidamide compound, and synthetic method and application of compound CHINA AGRICULTURAL UNIVERSITY (CN) 2014-10-01 CN disclosed
CN-103030575-A Double-cyano acidamide compound, and synthetic method and application of compound UNIV CHINA AGRICULTURAL 2013-04-10 CN disclosed
CN-1919838-A Alpha-cyano-N-benzylpyrazoamide compound, preparation method and pest control agent thereof as active component JIANGSU PESTICIDE RES INST CO (CN) 2007-02-28 CN disclosed
EP-0555388-B1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES DU PONT (US) 1999-01-27 EP disclosed
US-5378708-A Agricultural pesticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-03 US disclosed
WO-1992008704-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-29 WO disclosed