SCHEMBL7056575

SCHEMBL7056575

CC(C#N)(C(=O)Nc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.48
DAPK3 O43293 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
ERBB2 P04626 1/20 0.48
PRKCG P05129 1/20 0.48
PIM1 P11309 1/20 0.48
PHKG2 P15735 1/20 0.48
CDK2 P24941 1/20 0.48
AXL P30530 1/20 0.48
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
PRKCI P41743 1/20 0.48
SYK P43405 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
RPS6KA3 P51812 1/20 0.48

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
SCHEMBL7053065 0.85 HPGD (0.50) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL7055928 0.80 PDK1 (0.55) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL7053725 0.77 NPC1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL21632007 0.75 SMN1; SMN2 (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL72846 0.72 L3MBTL1 (0.79) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9513525 0.72 MAPT (0.45) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL20216834 0.72 MEN1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27811796 0.71 HDAC1 (0.48) PLK4DAPK3RPS6KA5MAP4K4ERBB2
SCHEMBL7875948 0.70 KCNN4 (0.56) MEN1KMT2AMAPTALDH1A1HDAC3
SCHEMBL10639383 0.70 MAPT (0.42) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1

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