SCHEMBL7052543

SCHEMBL7052543

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.56
POLB P06746 4/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
S1PR3 Q99500 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.46
ALPG P10696 1/20 0.46
GAA P10253 1/20 0.45
MLKL Q8NB16 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
SCHEMBL28762296 0.89 POLB (0.65) KLK7POLBMEN1KMT2AALDH1A1
SCHEMBL7053950 0.85 ALDH1A1 (0.58) KLK7POLBMEN1KMT2AALDH1A1
SCHEMBL7052537 0.84 KDM4E (0.61) POLBMEN1KMT2AHTTHPGD
SCHEMBL7210943 0.79 NPC1 (0.54) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL224464 0.79 NPC1 (0.57) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7054064 0.79 ALDH1A1 (0.58) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7053734 0.78 ALDH1A1 (0.58) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29521865 0.78 KLK7 (0.57) KLK7POLBMEN1KMT2AALDH1A1
SCHEMBL16828334 0.78 HDAC3 (0.49) KLK7MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5576509 0.76 KLK7 (0.56) KLK7POLBMEN1KMT2AALDH1A1

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