SCHEMBL4700341

SCHEMBL4700341

O=c1[nH]cnn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR8 Q9NR97 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
RPA1 P27694 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL10413461 0.79 ALOX12 (0.51) ALOX12LMNANPSR1TLR8ALDH1A1
SCHEMBL4700339 0.79 MGLL (0.44) ALDH1A1MAPTOPRM1KDM4EHCAR1
SCHEMBL5906196 0.77 SMN1; SMN2 (0.42) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL5906387 0.76 MGLL (0.44) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL8599860 0.75 TLR8 (0.49) ALOX12LMNANPSR1TLR8ALDH1A1
SCHEMBL5973251 0.73 CDK4 (0.53) ALOX12LMNANPSR1TLR8ALDH1A1
SCHEMBL29833592 0.73 CDK4 (0.53) ALOX12LMNANPSR1TLR8ALDH1A1
SCHEMBL4700338 0.72 HCAR1 (0.46) ALOX12LMNANPSR1TLR8ALDH1A1
SCHEMBL13219469 0.71 ALDH1A1 (0.54) ALOX12LMNANPSR1ALDH1A1MEN1
SCHEMBL10460925 0.70 LMNA (0.53) ALOX12LMNANPSR1TLR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468868-A Process for the selective chlorination of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-one FMC CORPORATION (US) 1995-11-21 US claimed
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
US-5468868-A Process for the selective chlorination of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-one FMC CORPORATION (US) 1995-11-21 US disclosed
US-5468868-A Process for the selective chlorination of 4,5-dihydro-1-phenyl-1H-1,2,4-triazol-5-one FMC CORPORATION (US) 1995-11-21 US disclosed
CN-1110683-A Process for the selective chlorination of 4,5-dihydro-1-phenyl-1h-1,2,4-triazol-5-one FMC CORP (US) 1995-10-25 CN disclosed