SCHEMBL7052548

SCHEMBL7052548

N#CC(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNQ2 O43526 1/20 0.40
POLB P06746 1/20 0.40
CASR P41180 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
TYK2 P29597 1/20 0.39
CXCL8 P10145 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7209904 0.82 ATM (0.51) MEN1LMNAKMT2APOLBALDH1A1
SCHEMBL7210943 0.79 NPC1 (0.54) MEN1LMNAKMT2APOLBALDH1A1
SCHEMBL28762296 0.79 POLB (0.65) MEN1LMNAKMT2APOLBALDH1A1
SCHEMBL7058595 0.78 NPC1 (0.55) MEN1LMNAKMT2APOLBCASR
SCHEMBL7053734 0.78 ALDH1A1 (0.58) MEN1LMNAKMT2APOLBALDH1A1
SCHEMBL28636600 0.78 MEN1 (0.49) MEN1LMNAKMT2AKCNQ2CASR
SCHEMBL7115753 0.77 MEN1 (0.49) MEN1LMNAKMT2AKCNQ2POLB
SCHEMBL5591370 0.76 CXCL8 (0.44) MEN1LMNAKMT2APOLBTYK2
SCHEMBL9574957 0.74 CTSD (0.63) MEN1LMNAKMT2APOLBALDH1A1
SCHEMBL7053950 0.73 ALDH1A1 (0.58) MEN1LMNAKMT2APOLBCASR

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