SCHEMBL10484172

SCHEMBL10484172

COc1ccc(CNCCN)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
BCDIN3D Q7Z5W3 1/20 0.44
NAMPT P43490 1/20 0.43
CHRM2 P08172 1/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
CD274 Q9NZQ7 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL10483960 0.94 MC4R (0.44) KDM1AMAOAMAOBBCDIN3DNAMPT
SCHEMBL3265195 0.86 MEN1 (0.50) KDM1AMAOAMAOBNAMPTCHRM2
SCHEMBL10483847 0.86 CD274 (0.42) PIK3CAPIK3CDPIK3CBPIK3CGMC4R
SCHEMBL5008479 0.85 KDM1A (0.47) KDM1AMAOAMAOBNAMPTCHRM2
SCHEMBL7993789 0.84 KDM1A (0.44) KDM1AMAOAMAOBNAMPTCHRM2
Hydrochloric Acid SCHEMBL5012101 0.84 KDM1A (0.46) KDM1AMAOAMAOBNAMPTCHRM2
SCHEMBL10483933 0.83 ACACB (0.44) PIK3CAPIK3CDPIK3CBPIK3CGMC4R
SCHEMBL6047215 0.81 KDM1A (0.49) KDM1AMAOAMAOBNAMPTMEN1
SCHEMBL10864446 0.81 MC4R (0.37) BCDIN3DCHRM2MC4RMC5RCD274
SCHEMBL10483904 0.80 MC4R (0.43) MC4RMC5RCD274KDM4EMAPT

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