SCHEMBL11590370

SCHEMBL11590370

Nc1cc(-n2[nH]c(C(=O)Nc3ccc(C(=O)O)c(C(=O)O)c3)cc2=O)ccc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 17/20 0.38
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL11590338 0.92 ALKBH5 (0.38) ALKBH5PKMKMT2A
SCHEMBL8751526 0.82 ALKBH5 (0.56) ALKBH5KMT2A
SCHEMBL11586966 0.74 CDC25B (0.36) ALKBH5KMT2A
SCHEMBL691280 0.74 ALKBH5 (0.57) ALKBH5KMT2A
SCHEMBL10390963 0.73 ALKBH5 (0.56) ALKBH5KMT2A
SCHEMBL10412044 0.72 ALKBH5 (0.47) ALKBH5KMT2A
SCHEMBL10802519 0.71 CYP1A2 (0.55) KMT2A
SCHEMBL7894943 0.71 ALDH1A1 (0.49) ALKBH5KMT2A
SCHEMBL10412743 0.70 ALKBH5 (0.50) ALKBH5KMT2A
SCHEMBL11504634 0.70 ALDH1A1 (0.54) ALKBH5KMT2A

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
US-RE29724-E NYLON, WITH AN ANTHRAQUINONE DYE CONTAINING CYCLIC ANHYDRIDE (FORMING) GROUPS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 — — US disclosed
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