SCHEMBL8695958

SCHEMBL8695958

Cc1cccc(-c2cc(=O)n(C)c3ncccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.46
HSD17B10 Q99714 1/20 0.44
TNKS O95271 1/20 0.43
FEN1 P39748 1/20 0.43
ACVR1 Q04771 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
BACE1 P56817 1/20 0.40
TLR8 Q9NR97 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
SCHEMBL8696587 0.86 HSD17B10 (0.60) HSD17B10TNKSFEN1
SCHEMBL8693905 0.85 PDE4A (0.45) HSD17B10TNKSFEN1ACVR1BACE1
SCHEMBL8691107 0.85 BRD4 (0.52) ELANEHSD17B10TNKSFEN1ACVR1
SCHEMBL8691820 0.85 PIK3CD (0.51) ELANEHSD17B10TNKSFEN1ACVR1
SCHEMBL8692400 0.85 TNKS (0.50) HSD17B10TNKSFEN1GRIN1GRIN2B
SCHEMBL8694011 0.83 BRD4 (0.54) HSD17B10BACE1
SCHEMBL8695803 0.82 ELANE (0.54) ELANEHSD17B10
SCHEMBL8696634 0.82 GRIN1 (0.47) HSD17B10GRIN1GRIN2B
SCHEMBL8693665 0.81 MET (0.51)
SCHEMBL8693990 0.80 TNKS (0.49) HSD17B10TNKSFEN1ACVR1

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-5817670-A RESPIRATORY SYSTEM DISORDERS, ORGAN TRANSPLANTATION, ANTITUMOR AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0779292-A1 NOVEL NAPHTHYRIDINE DERIVATIVE AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-06-18 EP disclosed