SCHEMBL7056566

SCHEMBL7056566

COc1ccc(C(C#N)C(=O)Nc2c(C)cccc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.41
LDHA P00338 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 3/20 0.40
HSP90AA1 P07900 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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 0.85 ATM (0.51) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL7052592 0.75 MEN1 (0.48) MEN1KMT2A
SCHEMBL31724116 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL11813324 0.75 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL1095499 0.74 ALDH1A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL11805399 0.73 ACP3 (0.53) KMT2AALDH1A1GAARAB9ANPC1
SCHEMBL27914975 0.72 ALDH1A1 (0.46) ALDH1A1GAALDHARAB9ANPC1
SCHEMBL1042446 0.72 GAA (0.50) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL6935548 0.71 ALDH1A1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7059942 0.71 CYP1A2 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2GAA

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