SCHEMBL9729443

SCHEMBL9729443

CN=C(N(C)Cc1ccc(Cl)nc1)N(C)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL7638479 0.82 CHRNB2 (0.43) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MEN1
SCHEMBL7638475 0.82 CHRNB2 (0.43) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MEN1
SCHEMBL9728246 0.80 CHRNB2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MEN1
SCHEMBL9617801 0.80 CHRNB2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
SCHEMBL9617802 0.80 CHRNB2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
SCHEMBL2755020 0.78 ALDH1A1 (0.43) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MEN1
SCHEMBL8926511 0.78 ALDH1A1 (0.43) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MEN1
SCHEMBL9852510 0.77 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
SCHEMBL7643543 0.77 CHRNB2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MEN1
SCHEMBL7643537 0.77 CHRNB2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166164-A Nontoxic to mammals, fish, and crustaceans; nonphytotoxic AGRO-KANESHO CO., LTD. (JP) 1992-11-24 US disclosed
EP-0425978-A2 Nitroguanidine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 1991-05-08 EP disclosed