SCHEMBL9809965

SCHEMBL9809965

Cc1cc[c]c(NC(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
HPGD P15428 1/20 0.38
CYP1A2 P05177 2/20 0.37
NR3C2 P08235 2/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PEPD P12955 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDK8 P49336 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4696811 0.83 HSD17B10 (0.47) HPGDMEN1KMT2AHSD17B10NPC1
SCHEMBL10964498 0.81 HPGD (0.34) HPGDCYP1A2MEN1KMT2ACYP2C9
SCHEMBL7063953 0.79 DDX3X (0.36) KIF11MEN1KMT2APEPDNPC1
SCHEMBL2895076 0.77 PARP1 (0.41) NR3C2PARP1MEN1KMT2ANPC1
SCHEMBL7701540 0.77 IKBKB (0.40) HPGDNR3C2MEN1KMT2AHSD17B10
SCHEMBL28133756 0.75 CA12 (0.39) HPGD
SCHEMBL6337960 0.74 MGLL (0.42) KIF11CYP1A2
SCHEMBL27924027 0.74 KCNMA1 (0.55) MEN1KMT2ANPC1
SCHEMBL27906119 0.74 KCNK3 (0.52) HPGDCYP1A2MEN1KMT2ACYP2C9
SCHEMBL11577666 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255098-B1 Novel 8-(lower alkyl) bicyclo [4.2.0] octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
EP-0196617-B1 [4.2.0]bicyclooctane derivatives, process for their preparation and pharmaceutical compositions containing same SYNTEX (U.S.A.) INC. (US) 1989-05-31 EP disclosed
EP-0255098-A1 Novel 8-(lower alkyl) bicyclo [4.2.0] octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1988-02-03 EP disclosed
EP-0237695-A2 1,4-Dihydropyridines MERCK PATENT GmbH (DE) 1987-09-23 EP disclosed
US-4678805-A Novel 8-(lower alkyl)bicyclo[4.2.0]octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1987-07-07 US disclosed
EP-0196617-A1 [4.2.0]bicyclooctane derivatives, process for their preparation and pharmaceutical compositions containing same SYNTEX (U.S.A.) INC. (US) 1986-10-08 EP disclosed
US-4608388-A Novel [4,2,0]bicyclooctane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1986-08-26 US disclosed