SCHEMBL7214535

SCHEMBL7214535

CCn1nccc1OCc1ccc(Cn2nnn(C3CC3)c2=O)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4C Q9H3R0 4/20 0.36
KDM5A P29375 3/20 0.36
KDM5B Q9UGL1 3/20 0.36
KDM4A O75164 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
GCK P35557 5/20 0.34
MEN1 O00255 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7548038 0.90 KDM4C (0.41) KMT2APOLBKDM4CKDM5AKDM5B
SCHEMBL7541006 0.86 ALDH1A1 (0.32) KMT2APOLBKDM4CKDM5AKDM5B
SCHEMBL7214537 0.86 SIGMAR1 (0.43) KMT2APOLBSIGMAR1GCKMAPK1
SCHEMBL7548040 0.80 GCK (0.39) SIGMAR1GCK
SCHEMBL7541012 0.76 ALDH1A1 (0.39) KMT2AGCKRAB9A
SCHEMBL6858795 0.75 CYP3A4 (0.34) KMT2APOLBKDM4CKDM5AKDM5B
SCHEMBL6328601 0.72 KMT2A (0.33) KMT2APOLBGCKMEN1
SCHEMBL14491895 0.65 ADORA2A (0.36) NPC1RAB9A
SCHEMBL7540906 0.63 KDM5A (0.31) KDM4CKDM5AKDM5BKDM4AKDM2B
SCHEMBL5906209 0.62 NR3C1 (0.39) KMT2APOLBMEN1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624121-B1 Exemplified by 2-cyano-3-cyclopropyl-1-(3-((4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1 -yl)methyl)-2, 4-dichlorophenyl)propan-1,3-dione NIHON BAYER AGROCHEM K.K. (JP) 2003-09-23 US disclosed
EP-1208090-A1 HERBICIDALTETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-05-29 EP disclosed
WO-2001010850-A1 HERBICIDAL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2001-02-15 WO disclosed