SCHEMBL10483879

SCHEMBL10483879

NCCCNCc1ccnc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.56
▸ LOXL3 P58215 1/20 0.56
▸ LOXL2 Q9Y4K0 1/20 0.56
▸ MC4R P32245 2/20 0.50
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 1/20 0.50
▸ RECQL P46063 1/20 0.47
▸ CHRM2 P08172 2/20 0.42
▸ FERMT2 Q96AC1 2/20 0.40
▸ ROCK1 Q13464 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL10483974 0.93 LOX (0.59) LOXLOXL3LOXL2MC4RMC5R
SCHEMBL10483900 0.81 LOXL2 (0.56) LOXL2MC4RMC5RMC3RCHRM2
SCHEMBL10483909 0.81 MC4R (0.50) MC4RMC5RMC3RCHRM2ROCK1
SCHEMBL7995987 0.80 RECQL (0.50) LOXLOXL3LOXL2RECQLCHRM2
SCHEMBL10483951 0.80 MC4R (0.51) MC4RMC5RMC3RRECQLCHRM2
SCHEMBL20641351 0.78 BCHE (0.48) LOXLOXL3LOXL2RECQLSMN1; SMN2
SCHEMBL22972214 0.76 RECQL (0.53) LOXLOXL3LOXL2RECQLROCK1
SCHEMBL22878184 0.76 RECQL (0.53) LOXLOXL3LOXL2RECQLPOLB
SCHEMBL21591559 0.76 NOS1 (0.57) CHRM2GSK3AGSK3B
SCHEMBL10734543 0.75 ALDH1A1 (0.56) LOXL2MC4RMC5RMC3RCHRM2

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 4 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-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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