SCHEMBL8853776

SCHEMBL8853776

NC(=O)c1cc(-c2cc[nH]c(=O)c2)c[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.46
▸ IKBKB O14920 8/20 0.39
▸ CHUK O15111 7/20 0.39
▸ ALDH2 P05091 4/20 0.37
▸ CCNC P24863 3/20 0.36
▸ CDK8 P49336 3/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NAPRT Q6XQN6 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
SCHEMBL28032516 0.81 NOTUM (0.49) NOTUMIKBKBCHUKALDH2MAP4K4
SCHEMBL11216346 0.79 AURKA (0.59) IKBKBCHUKAURKAMAPTTHRB
SCHEMBL10996413 0.78 ERCC1 (0.47) IKBKBCHUKCCNCCDK8
SCHEMBL10996103 0.78 IKBKB (0.49) IKBKBCHUKCCNCCDK8AURKA
SCHEMBL10997791 0.78 TTK (0.45) NOTUMIKBKBCHUKCCNCCDK8
SCHEMBL10999074 0.77 PARP1 (0.49) IKBKBCHUKAURKAMAPTTHRB
SCHEMBL11002057 0.77 AURKB (0.49) IKBKBCHUKMAP4K4AURKAMAPT
SCHEMBL7291907 0.77 AURKB (0.61) NOTUMMAP4K4AURKAMAPTTHRB
SCHEMBL8853769 0.76 CCNC (0.64) IKBKBCHUKCCNCCDK8AURKA
SCHEMBL11000584 0.75 PARP1 (0.49) MAPTTHRB

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
US-5698199-A ORAL ADMINISTRATION OR TOPICAL APPLICATION OF A THISTLE-SERIES OR PEPPER-FAMILY PLANT OR EXTRACT FOR CONTROL, PREVENTION AND IMPROVEMENT OF OBESITY KAO CORPORATION (JP) 1997-12-16 — — US disclosed
Send feedback