SCHEMBL7993673

SCHEMBL7993673

SCCNCc1cncc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 2/20 0.34
CHRM2 P08172 1/20 0.34
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
POLB P06746 2/20 0.32
HDAC1 Q13547 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL10483986 0.82 MC4R (0.41) KDM4ESMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL114055 0.82 GSR (0.40) KDM4ESMN1; SMN2CYP1A2CYP2D6CHRM2
SCHEMBL10483845 0.79 MC4R (0.44) KDM4ECYP1A2CYP2D6CYP2C19CHRM2
SCHEMBL7981783 0.79 NOS1 (0.45) CYP1A2CYP2D6CHRM2DYRK1ACLK4
SCHEMBL112780 0.78 L3MBTL1 (0.43) KDM4ESMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL15301629 0.78 KDM4E (0.41) KDM4ESMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL31226386 0.76 CA2 (0.36) KDM4ESMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL15302001 0.75 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2D6POLB
SCHEMBL7981534 0.75 CHRM2 (0.39) CYP1A2CYP2D6CHRM2FNTAFNTB
SCHEMBL13430051 0.75 POLB (0.36) KDM4ESMN1; SMN2POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed