SCHEMBL7996444

SCHEMBL7996444

CSc1ncc(CNCCN)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
AKT1 P31749 7/20 0.34
AKT2 P31751 7/20 0.34
MC3R P41968 1/20 0.33
POLB P06746 2/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CHRM2 P08172 2/20 0.31
MEN1 O00255 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL7993810 0.83 MC4R (0.36) MC4RMC5RMC3RPOLBCA12
SCHEMBL7995408 0.79 MC4R (0.41) MC4RMC5RMC3RCA12CA9
SCHEMBL7999533 0.79 MC4R (0.33) MC4RMC5R
SCHEMBL7996475 0.78 PTPN1 (0.39) MC4RMC5RMC3R
SCHEMBL10483985 0.78 MC4R (0.41) MC4RMC5RMC3RPOLBCA12
SCHEMBL7993501 0.77 MC4R (0.34) MC4RMC5RPOLB
SCHEMBL7999535 0.76 POLB (0.33) MC4RMC5RPOLB
SCHEMBL7995502 0.76 MC4R (0.41) MC4RMC5RMC3RPOLBCA12
SCHEMBL7995384 0.76 MC4R (0.41) MC4RMC5RMC3RCA12CA9
SCHEMBL7981901 0.75 MC4R (0.41) MC4RMC5RMC3RCA12CA9

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