SCHEMBL7992485

SCHEMBL7992485

OCCNCc1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
VSIR Q9H7M9 9/20 0.38
CD274 Q9NZQ7 3/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
PDCD1 Q15116 2/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
TYMP P19971 1/20 0.33

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
SCHEMBL7999337 0.81 ALDH1A1 (0.42) ALDH1A1GAAMAPTKMT2A
SCHEMBL7992679 0.80 ALDH1A1 (0.44) ALDH1A1GAAMAPT
SCHEMBL1126767 0.73
SCHEMBL11397022 0.73 ALDH1A1 (0.33) ALDH1A1VSIRCD274PDCD1LG2
SCHEMBL27163625 0.73 ALDH1A1 (0.41) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL4592210 0.71 ALDH1A1 (0.46) ALDH1A1GAAMAPT
SCHEMBL9316382 0.70 VNN1 (0.42) ALDH1A1VSIRCD274PDCD1SMN1; SMN2
SCHEMBL1852259 0.69 IL1B (0.53) ALDH1A1GAAMAPTCYP2D6KMT2A
SCHEMBL6101102 0.69 KMT2A (0.42) ALDH1A1CD274PDCD1LG2SMN1; SMN2CYP1A2
SCHEMBL29777000 0.69 KDM4E (0.53) ALDH1A1CD274PDCD1GAAMAPT

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 10 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-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