SCHEMBL25890774

SCHEMBL25890774

CON[C@@H](c1ccc(N=[N+]=[N-])cc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 11/20 0.47
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL25890713 0.78 SLC6A2 (0.50) SLC6A3MEN1ALDH1A1MAPK1KMT2A
SCHEMBL25890717 0.76 MEN1 (0.51) SLC6A3MEN1ALDH1A1MAPK1KMT2A
SCHEMBL25890759 0.73 SLC6A3 (0.37) SLC6A3MEN1ALDH1A1MAPK1KMT2A
SCHEMBL25890745 0.73 TRPV1 (0.42) SLC6A3MEN1KMT2A
SCHEMBL29035559 0.65 NOS3 (0.43) SLC6A3KMT2A
SCHEMBL25890721 0.64 LMNA (0.43) MEN1ALDH1A1MAPK1KMT2A
SCHEMBL13449657 0.63 CA1 (0.50) ALDH1A1MAPK1CYP3A4
SCHEMBL13455319 0.63 CA1 (0.44) SLC6A3ALDH1A1
Methane SCHEMBL28299317 0.62 CA1 (0.48) ALDH1A1MAPK1CYP3A4
SCHEMBL16748959 0.61 CA1 (0.58) —

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-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 — — EP disclosed
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