SCHEMBL9458307

SCHEMBL9458307

CCCCCCCCCCCC[C]Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.49
DNM1 Q05193 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX2 P34913 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
CETP P11597 2/20 0.41

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
SCHEMBL9458750 1.00 KCNH2 (0.49) KCNH2DNM1MEN1KMT2AEPHX2
SCHEMBL7614671 0.98 KCNH2 (0.46) KCNH2DNM1MEN1KMT2AEPHX2
SCHEMBL502029 0.92 KCNH2 (0.46) KCNH2DNM1MEN1KMT2AEPHX2
SCHEMBL4228707 0.83 TP53 (0.46) KCNH2TP53SMN1; SMN2SIGMAR1
SCHEMBL28437803 0.82 KCNH2 (0.59) KCNH2DNM1MEN1KMT2AEPHX2
SCHEMBL5314925 0.73 KCNH2 (0.57) KCNH2DNM1TP53SMN1; SMN2SIGMAR1
Ethylbenzene SCHEMBL798422 0.73 TP53 (0.74) KCNH2DNM1MEN1KMT2AEPHX2
Hexadecane SCHEMBL10591100 0.73 TP53 (0.74) KCNH2DNM1MEN1KMT2AEPHX2
Decane SCHEMBL10591097 0.73 TP53 (0.74) KCNH2DNM1MEN1KMT2AEPHX2
Ethylbenzene SCHEMBL3882350 0.73 TP53 (0.74) KCNH2DNM1MEN1KMT2AEPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553594-A1 Polymeric thermoplastic materials, comprising 1,2,4-triazolidine-3,5-dione derivatives as stabilisers CIBA-GEIGY AG (CH) 1993-08-04 EP disclosed
US-5210118-A Phenyl-3-Pyrazolidinones CIBA-GEIGY CORPORATION (US) 1993-05-11 US disclosed
US-5196465-A Heat resistance CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
EP-0462068-A2 A method for stabilizing synthetic thermoplastic materials against thermal degradation CIBA-GEIGY AG (CH) 1991-12-18 EP disclosed