SCHEMBL9832110

SCHEMBL9832110

Cc1ccc(CCCCCCCCCCCCCCC(=O)Cc2c[nH]nc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 2/20 0.39
GLS O94925 1/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL9837576 0.88 ALOX5 (0.46) IGF1RALOX15FAAH
SCHEMBL9833181 0.88 HDAC3 (0.44) NAAAIGF1RALOX15
SCHEMBL9832892 0.88 NAAA (0.37) NAAAGLSFAAH
SCHEMBL9834514 0.86 HRH1 (0.41) NAAAFAAH
SCHEMBL9833469 0.86 HDAC1 (0.46) TDP1NAAAGLS
SCHEMBL9834740 0.83 ALOX5 (0.44) GLS
SCHEMBL9833965 0.81 NAAA (0.41) NAAAFAAH
SCHEMBL9833192 0.76 ALDH1A1 (0.37) TDP1GLSALOX15
SCHEMBL20330088 0.70 NAAA (0.52) TDP1L3MBTL1NAAAIGF1RALOX15
SCHEMBL25456072 0.70 TDP1 (0.59) TDP1L3MBTL1NAAAIGF1RALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129846-B1 (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES AMERICAN CYANAMID COMPANY (US) 1991-05-08 EP claimed