SCHEMBL9504024

SCHEMBL9504024

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 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
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
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
SCHEMBL9728246 0.82 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MEN1
SCHEMBL9843035 0.78 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL9852509 0.77 CHRNB2 (0.39) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL10383503 0.76 NPC1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ATP53
Guadipyr SCHEMBL16166203 0.76 FAAH (0.38) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
Guadipyr SCHEMBL17968362 0.76 FAAH (0.38) CHRNB2CHRNA4ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL17202936 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPT
SCHEMBL9777085 0.76 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MEN1
SCHEMBL7629351 0.75 RECQL (0.39) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL2755020 0.75 ALDH1A1 (0.43) CHRNB2CHRNA4ALDH1A1SMN1; 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 8 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 claimed
EP-0425978-A2 Nitroguanidine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 1991-05-08 EP claimed
JP-3200768-A None JP disclosed
US-5223520-A Insecticides CIBA-GEIGY CORPORATION (US) 1993-06-29 US disclosed
US-5166164-A Nontoxic to mammals, fish, and crustaceans; nonphytotoxic AGRO-KANESHO CO., LTD. (JP) 1992-11-24 US disclosed
EP-0507736-A1 Heterocyclic amidine derivatives and their use as pesticides CIBA-GEIGY AG (CH) 1992-10-07 EP disclosed
JP-H03200768-A NITROGUANIDINE COMPOUND AND INSECTICIDE AGRO KANESHO CO LTD 1991-09-02 JP disclosed
EP-0425978-A2 Nitroguanidine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 1991-05-08 EP disclosed