SCHEMBL8977296

SCHEMBL8977296

CN(CCC1CCCCC1)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
KDM5A P29375 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
ACHE P22303 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL3370864 0.84 ALOX5 (0.47) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL21058086 0.78 ALOX5 (0.45) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL10791735 0.77 SIGMAR1 (0.44) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL9954309 0.73
SCHEMBL29594477 0.72 SIGMAR1 (0.56) SIGMAR1ACHECYP1A2
SCHEMBL6624957 0.72 SIGMAR1 (0.68) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL19681593 0.72 SIGMAR1 (0.68) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL5510789 0.72 SIGMAR1 (0.56) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL27372580 0.72 SIGMAR1 (0.39) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL10430530 0.71 CYP1A2 (0.54) HPGDCYP1A2EPHX1

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
CN-1058491-C Tetrazoline series compound with herbicide activity NIPPON BAYER PESTICIDE CO LTD (JP) 2000-11-15 CN disclosed
CN-1130182-A Tetrazoline series compound with herbicide activity NIPPON BAYER PESTICIDE CO LTD (JP) 1996-09-04 CN disclosed
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed