SCHEMBL9833181

SCHEMBL9833181

Nc1n[nH]cc1CC(=O)CCCCCCCCCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LTB4R Q15722 2/20 0.40
NAAA Q02083 1/20 0.39
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
PPARA Q07869 2/20 0.35
MAP4K4 O95819 1/20 0.35
IGF1R P08069 1/20 0.35

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
SCHEMBL9832892 0.88 NAAA (0.37) NAAA
SCHEMBL9832110 0.88 TDP1 (0.41) NAAAIGF1RALOX15
SCHEMBL9834514 0.86 HRH1 (0.41) NAAA
SCHEMBL9837576 0.86 ALOX5 (0.46) LTB4RIGF1RALOX15
SCHEMBL9834740 0.81 ALOX5 (0.44) PPARAPPARG
SCHEMBL9833469 0.79 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9833192 0.76 ALDH1A1 (0.37) HDAC1HDAC2HDAC6ALOX15
SCHEMBL8171842 0.75 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27498895 0.70 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9540782 0.69 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2

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