SCHEMBL8404155

SCHEMBL8404155

CC(NCc1ccc(Cl)nc1)=C(S)[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP2C9 P11712 2/20 0.42
NAMPT P43490 2/20 0.42
FAAH O00519 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CASP6 P55212 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
OXTR P30559 1/20 0.37

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
SCHEMBL7664015 0.84 ALDH1A1 (0.43) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL9843175 0.76 CHRNB2 (0.45) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL29811285 0.75 ALDH1A1 (0.57) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL2632301 0.75 ALDH1A1 (0.57) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL9703437 0.74 FAAH (0.43) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL3663528 0.74 ALDH1A1 (0.41) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL3668188 0.74 ALDH1A1 (0.41) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL7639531 0.74 NAMPT (0.44) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL7663609 0.74 CYP2C9 (0.44) ALDH1A1CYP2C9NAMPTFAAHMAPT
SCHEMBL10440279 0.73 ALDH1A1 (0.40) ALDH1A1CYP2C9MAPTGAACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1044071-C Insecticidal agents NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1999-07-14 CN claimed
CN-1045333-A Insecticide NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1990-09-19 CN claimed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
CN-1044071-C Insecticidal agents NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1999-07-14 CN disclosed
CN-1045333-A Insecticide NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1990-09-19 CN disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed