SCHEMBL9837576

SCHEMBL9837576

COc1ccc(CCCCCCCCCCCCCCC(=O)Cc2c[nH]nc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
LTB4R Q15722 1/20 0.44
F2RL1 P55085 1/20 0.44
SCNN1A P37088 2/20 0.42
POLB P06746 1/20 0.40
CALM1 P0DP23 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
FAAH O00519 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
SCHEMBL9832110 0.88 TDP1 (0.41) IGF1RALOX15FAAH
SCHEMBL9833181 0.86 HDAC3 (0.44) LTB4RIGF1RALOX15
SCHEMBL9832892 0.86 NAAA (0.37) FAAH
SCHEMBL9834740 0.85 ALOX5 (0.44) ALOX5
SCHEMBL9834514 0.84 HRH1 (0.41) FAAH
SCHEMBL9833469 0.80 HDAC1 (0.46) POLB
SCHEMBL9833192 0.74 ALDH1A1 (0.37) ALOX5POLBALOX15
SCHEMBL933946 0.74 ALOX5 (0.59) ALOX5LTB4RF2RL1POLBCALM1
SCHEMBL13522667 0.74 ALOX5 (0.59) ALOX5LTB4RF2RL1POLBCALM1
SCHEMBL20019549 0.72 ALOX5 (0.61) ALOX5F2RL1POLBCALM1IGF1R

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