SCHEMBL7214537

SCHEMBL7214537

CCn1nccc1Oc1ccc(Cn2nnn(C3CC3)c2=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
GCK P35557 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.35
PDE5A O76074 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
SCHEMBL7548040 0.90 GCK (0.39) SIGMAR1GCKPDE5A
SCHEMBL7541012 0.86 ALDH1A1 (0.39) GCKSMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL7214535 0.86 KMT2A (0.36) SIGMAR1GCKKMT2APOLBMAPK1
SCHEMBL7548038 0.79 KDM4C (0.41) GCKKMT2APOLBPDE5A
SCHEMBL6858795 0.77 CYP3A4 (0.34) GCKSMN1; SMN2KMT2APOLBKDM4E
SCHEMBL7541006 0.75 ALDH1A1 (0.32) GCKSMN1; SMN2LMNAKMT2APOLB
SCHEMBL14491895 0.67 ADORA2A (0.36) KDM4E
SCHEMBL5906209 0.64 NR3C1 (0.39) SMN1; SMN2LMNAKMT2APOLBKDM4E
SCHEMBL1491108 0.63 LMNA (0.55) SIGMAR1SMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL5906203 0.63 ADORA3 (0.36) SMN1; SMN2LMNAKMT2APOLBKDM4E

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