SCHEMBL4699093

SCHEMBL4699093

O=c1nc[nH]n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
PNP P00491 2/20 0.42
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20943730 0.78 CXCR2 (0.50)
SCHEMBL196531 0.71 F2 (0.54) DAOF2PLGELANECTSG
SCHEMBL7656605 0.67 CXCR2 (0.67) DAO
SCHEMBL21055329 0.64 MEN1 (0.51) DAOF2PLGELANECTSG
SCHEMBL30947152 0.64 CNOT7 (0.43) MAPT
SCHEMBL8985073 0.64 GSK3B (0.67) F2PLGELANECTSGCMA1
SCHEMBL9527922 0.63 DAO (0.46) DAOF2PLGELANECTSG
SCHEMBL4699095 0.63 MAPT (0.51) DAOF2PLGELANECTSG
SCHEMBL11704469 0.63 ALDH1A1 (0.46) F2PLGELANECTSGCMA1
SCHEMBL9645952 0.62 ALOX5 (0.70)

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
EP-0974587-B1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEM IND CO (JP) 2008-04-23 EP disclosed
US-6077814-A LOW PHYTOTOXICITY TO THE CROP PLANTS; SELECTIVE ACTIVITY HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-20 US disclosed
EP-0974587-A1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2000-01-26 EP disclosed