SCHEMBL30281150

SCHEMBL30281150

NC(=O)c1nonc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
NOD2 Q9HC29 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL18061815 0.72 CA12 (0.33) CA12CA1CA2CA9NPC1
SCHEMBL18061342 0.72 CA12 (0.33) CA12CA1CA2CA9NPC1
SCHEMBL29164396 0.70
SCHEMBL2890927 0.69 CA12 (0.55) CA12CA1CA2CA9GSTP1
SCHEMBL29088214 0.67 CA12 (0.53) CA12CA1CA2CA9GSTP1
Guanidine SCHEMBL9222719 0.66 KMT2A (0.38) CA12CA1CA2CA9KMT2A
SCHEMBL353456 0.66
SCHEMBL29005813 0.66 KMT2A (0.42) CA12CA1CA2CA9NPC1
Hydroxyamine SCHEMBL6927879 0.65 KMT2A (0.40) CA12CA1CA2CA9MAPT
SCHEMBL30852820 0.65 LMNA (0.38) GSTP1GSTM2SMN1; SMN2TSHRCYP3A4

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-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed