SCHEMBL8069186

SCHEMBL8069186

CCNC(=C[N+](=O)[O-])NCCc1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
QPCTL Q9NXS2 1/20 0.37
FAAH O00519 1/20 0.37
CASP6 P55212 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL8069181 0.89 MEN1 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7752227 0.88 FAAH (0.46) SMN1; SMN2ALDH1A1CYP3A4CYP2D6MAPT
SCHEMBL8066452 0.82 QPCTL (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7663609 0.81 CYP2C9 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1747766 0.79 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL1747765 0.79 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL1747764 0.79 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL7664002 0.77 FAAH (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7664009 0.77 FAAH (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28283908 0.76 CNR1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 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