Carnidazole

Carnidazole

SCHEMBL28240653

COC(=S)NCCn1c([N+](=O)[O-])cnc1C.O=[N+]([O-])c1cccs1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.51
CA2 P00918 10/20 0.51
CA9 Q16790 10/20 0.51
CA12 O43570 7/20 0.51
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
EGFR P00533 3/20 0.42
ERBB2 P04626 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Carnidazole SCHEMBL637201 0.87 LMNA (0.60) CA1CA2CA9CA12ALDH1A1
SCHEMBL4957507 0.76 LMNA (0.63) CA1CA2CA9CA12ALDH1A1
Sulnidazole SCHEMBL666806 0.74 CA1 (0.44) CA1CA2CA9CA12ALDH1A1
SCHEMBL5332268 0.73 LMNA (0.67) CA1CA2CA9CA12ALDH1A1
SCHEMBL4957501 0.71 LMNA (0.63) CA1CA2CA9CA12ALDH1A1
SCHEMBL31236760 0.71 GLA (0.64) ALDH1A1GLAMEN1KMT2AMAPT
SCHEMBL11881911 0.70 LMNA (0.62) CA1CA2CA9CA12ALDH1A1
SCHEMBL29287384 0.70 LMNA (0.65) CA1CA2CA9CA12ALDH1A1
SCHEMBL30988938 0.69 LMNA (0.60) CA1CA2CA9CA12ALDH1A1
SCHEMBL13849447 0.69 CA1 (0.68) CA1CA2CA9CA12ALDH1A1

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
CN-108379087-A Filling paste for dental pulp conservation treatment and preparation method thereof 徐崇明 2018-08-10 CN disclosed