SCHEMBL8600943

SCHEMBL8600943

Cc1n[nH]c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.71
KDM4E B2RXH2 1/20 0.65
POLB P06746 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
CYP2C9 P11712 1/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
GFER P55789 1/20 0.46
GRM1 Q13255 1/20 0.46
TLR8 Q9NR97 1/20 0.44

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
SCHEMBL14100096 0.82 TDP1 (0.71) TDP1KDM4EPOLBL3MBTL1CYP2C9
SCHEMBL1133466 0.82 TDP1 (0.66) TDP1KDM4EPOLBL3MBTL1CYP2C9
SCHEMBL763265 0.82 TDP1 (0.66) TDP1KDM4EPOLBL3MBTL1CYP2C9
SCHEMBL16659214 0.82 TDP1 (0.57) TDP1KDM4EPOLBL3MBTL1CYP2C9
SCHEMBL30939614 0.82 CYP2C9 (0.54) TDP1KDM4EPOLBL3MBTL1CYP2C9
SCHEMBL15546777 0.82 CYP2C9 (0.54) TDP1KDM4EPOLBL3MBTL1CYP2C9
SCHEMBL3520528 0.81 L3MBTL1 (0.66) TDP1POLBL3MBTL1CYP2C9NPC1
SCHEMBL23279388 0.81 CYP1A2 (0.69) TDP1POLBL3MBTL1CYP2C9NPC1
SCHEMBL15547312 0.79 CYP1A2 (0.58) TDP1KDM4EPOLBL3MBTL1CYP2C9
SCHEMBL5905952 0.78 CYP1A2 (0.69) TDP1KDM4EPOLBL3MBTL1CYP2C9

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-5767275-A Preparation of triazolone compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1998-06-16 US disclosed
EP-0668857-B1 PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS ACRAF (IT) 1998-02-25 EP disclosed