SCHEMBL7053065

SCHEMBL7053065

CC(C#N)(C(=O)Nc1cccc(F)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.48
MAPK10 P53779 1/20 0.48
KCNH2 Q12809 1/20 0.48
GFER P55789 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MTOR P42345 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOB P27338 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
ATM Q13315 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL7056575 0.85 PLK4 (0.48) NPC1RAB9ATSHRMAPK10MEN1
SCHEMBL7053725 0.84 NPC1 (0.52) HPGDNPC1RAB9ATSHRMEN1
SCHEMBL7055928 0.77 PDK1 (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3880470 0.77 NPSR1 (0.65) HPGDNPC1RAB9ATSHRMEN1
SCHEMBL5199923 0.76 MEN1 (0.56) HPGDNPC1RAB9ATSHRGFER
SCHEMBL28355718 0.75 MEN1 (0.59) HPGDNPC1RAB9ATSHRMEN1
SCHEMBL5546915 0.72 L3MBTL1 (0.67) HPGDNPC1RAB9ATSHRMEN1
SCHEMBL29659984 0.72 L3MBTL1 (0.67) HPGDNPC1RAB9ATSHRMEN1
SCHEMBL22472037 0.70 MEN1 (0.61) HPGDNPC1RAB9ATSHRMAPK10
SCHEMBL21880214 0.70 NPC1 (0.49) HPGDNPC1RAB9AGFERMEN1

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
US-6613931-B1 N-(3-chlorphenyl)-2-cyano-2-phenylacetamide BASF AKTIENGESELLSCHAFT (DE) 2003-09-02 US claimed
EP-1156715-B1 USE OF PHENYLACETAMIDES AS PLANT PROTECTIVES HAVING HERBICIDAL AND FUNGICIDAL EFFECT BASF AG (DE) 2003-05-07 EP claimed