SCHEMBL8977342

SCHEMBL8977342

Cc1ccc(-n2nn[nH]c2=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.45
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
HCAR1 Q9BXC0 1/20 0.41
OPRM1 P35372 1/20 0.41
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
DNMT1 P26358 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPBWR1 P48145 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
SCHEMBL8977290 0.87 HSD17B10 (0.50) NPSR1HTTCDK4CCND1HCAR1
SCHEMBL15351321 0.84 HCAR1 (0.44) HCAR1OPRM1RAB9A
SCHEMBL5906376 0.79 ALDH1A1 (0.44) HTTHCAR1OPRM1TDP1KMT2A
SCHEMBL17708421 0.78 TP53 (0.48) HTTKDM4EKMT2AMAPTHSD17B10
SCHEMBL8977207 0.77 ALDH1A1 (0.39) NPSR1HTTCDK4CCND1KDM4E
SCHEMBL8686445 0.75 OPRM1 (0.35) OPRM1TDP1MAPT
SCHEMBL5906191 0.75 ALDH1A1 (0.42) NPSR1HTTKDM4EKMT2AMAPT
SCHEMBL17616628 0.74 L3MBTL1 (0.41) NPSR1KDM4ETDP1KMT2AMAPT
SCHEMBL15352559 0.74 HTR7 (0.39) HTTHCAR1KDM4ETDP1MAPT
SCHEMBL5905967 0.73 CYP1A2 (0.48) TDP1MAPTHSD17B10POLBL3MBTL1

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
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed