SCHEMBL7668141

SCHEMBL7668141

CNC(=O)NNC(=C[N+](=O)[O-])NCc1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
CYP2C9 P11712 2/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CASP6 P55212 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HDAC1 Q13547 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FPR2 P25090 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7664009 0.88 FAAH (0.44) NAMPTCYP2C9FAAHALDH1A1CASP6
SCHEMBL7664002 0.88 FAAH (0.44) NAMPTCYP2C9FAAHALDH1A1CASP6
SCHEMBL7672035 0.88 ALDH1A1 (0.43) NAMPTCYP2C9FAAHALDH1A1NPC1
SCHEMBL7663609 0.86 CYP2C9 (0.44) NAMPTCYP2C9FAAHALDH1A1CASP6
SCHEMBL7752227 0.82 FAAH (0.46) NAMPTCYP2C9FAAHALDH1A1CASP6
SCHEMBL7668111 0.81 ALDH1A1 (0.47) NAMPTCYP2C9FAAHALDH1A1CASP6
SCHEMBL7668113 0.81 ALDH1A1 (0.47) NAMPTCYP2C9FAAHALDH1A1CASP6
SCHEMBL7662087 0.81 FAAH (0.42) NAMPTCYP2C9FAAHALDH1A1CASP6
SCHEMBL9045819 0.81 FAAH (0.42) NAMPTCYP2C9FAAHALDH1A1CASP6
SCHEMBL9047024 0.77 FPR2 (0.44) NAMPTCYP2C9FAAHALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed