SCHEMBL7054064

SCHEMBL7054064

N#CC(C(=O)Nc1ccccc1F)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 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
SCHEMBL7059942 0.82 CYP1A2 (0.51) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL28762296 0.79 POLB (0.65) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL7052543 0.79 KLK7 (0.56) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL29521580 0.78 ALDH1A1 (0.65) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL7052537 0.75 KDM4E (0.61) NPC1RAB9AKMT2AHTTMEN1
SCHEMBL7115753 0.74 MEN1 (0.49) ALDH1A1GAARAB9ALMNAKMT2A
SCHEMBL9574957 0.74 CTSD (0.63) ALDH1A1GAASMN1; SMN2LMNAKMT2A
SCHEMBL10423200 0.74 NPC1 (0.66) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL24754853 0.73 RAB9A (0.70) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL19925907 0.73 CES2 (0.47) ALDH1A1GAANPC1RAB9ASMN1; SMN2

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