SCHEMBL7995697

SCHEMBL7995697

O=[N+]([O-])C=C1SCCN1Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CHRNA7 P36544 3/20 0.43
CHRNA1 P02708 2/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PPARD Q03181 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL7995696 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL9090768 0.93 CHRNA1 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL7992716 0.93 CHRNA1 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL7994071 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL9069685 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL9070401 0.83 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL7996120 0.83 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL1020001 0.83 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL9070091 0.83 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL10026156 0.83 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US claimed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US claimed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US claimed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP claimed
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-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