SCHEMBL9852509

SCHEMBL9852509

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL2783882 0.85 MMP2 (0.36) MAPT
SCHEMBL27373480 0.83 ALDH1A1 (0.40) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL9852510 0.77 ALDH1A1 (0.39) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL9504024 0.77 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL6421932 0.75 RECQL (0.44) ALDH1A1MAPT
SCHEMBL2973540 0.74 FAAH (0.42) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL9777085 0.73 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL5001742 0.72 CHRNB2 (0.39) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL7106155 0.72 CHRNB2 (0.39) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL8466699 0.72 ALDH1A1 (0.40) CHRNB2CHRNA4ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425978-A2 Nitroguanidine compounds and insecticides AGRO-KANESHO CO., LTD. (JP) 1991-05-08 EP claimed