SCHEMBL10483974

SCHEMBL10483974

NCCNCc1ccnc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.59
▸ LOXL3 P58215 1/20 0.59
▸ LOXL2 Q9Y4K0 1/20 0.59
▸ RECQL P46063 1/20 0.50
▸ MC4R P32245 2/20 0.47
▸ MC5R P33032 2/20 0.47
▸ MC3R P41968 1/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ ROCK1 Q13464 4/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ GHSR Q92847 1/20 0.39
▸ FERMT2 Q96AC1 3/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ POLB P06746 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
SCHEMBL10483879 0.93 LOX (0.56) LOXLOXL3LOXL2RECQLMC4R
SCHEMBL7995987 0.83 RECQL (0.50) LOXLOXL3LOXL2RECQLCHRM2
SCHEMBL10483895 0.79 LOXL2 (0.59) LOXL2MC4RMC5RMC3RCHRM2
SCHEMBL10484162 0.79 MC4R (0.47) LOXLOXL3LOXL2MC4RMC5R
SCHEMBL10484031 0.79 MC4R (0.47) MC4RMC5RMC3RCHRM2ROCK1
SCHEMBL22972214 0.79 RECQL (0.53) LOXLOXL3LOXL2RECQLROCK1
SCHEMBL22878184 0.79 RECQL (0.53) LOXLOXL3LOXL2RECQLGHSR
SCHEMBL10483844 0.78 MC4R (0.49) LOXLOXL3LOXL2RECQLMC4R
SCHEMBL20641351 0.77 BCHE (0.48) LOXLOXL3LOXL2RECQL
SCHEMBL12720918 0.76 LOXL2 (0.70) LOXLOXL3LOXL2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4812571-A NITROMETHYLENE COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 — — US disclosed
US-4774247-A Nitromethylene derivative insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-27 — — US disclosed
US-4678795-A 1-pyridylmethyl-2-nitromethylene-1,3-diazacycloalkane insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-07 — — US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 — — EP disclosed
EP-0163855-A1 Nitromethylene derivatives, intermediates, and process for their preparation as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-12-11 — — EP disclosed
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