SCHEMBL27028223

SCHEMBL27028223

O=C(O)c1cc(N=Nc2ccccc2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.51
▸ PIN1 Q13526 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ ALPL P05186 6/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ CA12 O43570 4/20 0.44
▸ HCAR3 P49019 3/20 0.44
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ RPA1 P27694 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HPGDS O60760 1/20 0.40

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
SCHEMBL9126887 0.77 KMT2A (0.45) TP53TRPA1MAOAMAOBMEN1
SCHEMBL12304379 0.74 TP53 (0.47) TP53PIN1ALPLHCAR2CA12
SCHEMBL9700645 0.73 ALPL (0.46) TP53PIN1ALPLHCAR2CA12
Azobenzene SCHEMBL9435350 0.69 ALDH1A1 (0.75) TRPA1MAOAMAOBMEN1MAPT
Azobenzene SCHEMBL475771 0.69 ALDH1A1 (0.75) TRPA1MAOAMAOBMEN1MAPT
SCHEMBL726574 0.68 TP53 (1.00) TP53PIN1ALPLCA12RPA1
SCHEMBL7878964 0.68 — —
Azobenzene SCHEMBL182578 0.66 ALDH1A1 (0.92) TRPA1MAOAMAOBMEN1MAPT
Azobenzene SCHEMBL182577 0.66 ALDH1A1 (0.92) TRPA1MAOAMAOBMEN1MAPT
Azobenzene SCHEMBL29187231 0.65 TRPA1 (0.86) TP53TRPA1MEN1MAPTKMT2A

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-4308558-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-01-24 — — EP disclosed
Send feedback