SCHEMBL24228689

SCHEMBL24228689

CCCCN1c2ccccc2SC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ GSK3B P49841 3/20 0.35
▸ PDF Q9HBH1 1/20 0.35

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
SCHEMBL26049380 0.91 GAA (0.47) POLBGAAL3MBTL1ALDH1A1PKM
SCHEMBL24228679 0.86 CYP3A4 (0.45) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL24228688 0.85 GSK3B (0.35) GSK3B
SCHEMBL26049194 0.85 GSK3B (0.35) GSK3B
SCHEMBL24228687 0.85 GSK3B (0.35) GAAL3MBTL1GSK3B
SCHEMBL30445676 0.85 GSK3B (0.35) GAAL3MBTL1GSK3B
SCHEMBL29373153 0.85 GSK3B (0.35) GSK3B
SCHEMBL6313787 0.80 KDM1A (0.43) KDM1APOLBL3MBTL1ALDH1A1PKM
SCHEMBL15493920 0.76 KDM1A (0.40) KDM1APOLBALDH1A1PKMTSHR
SCHEMBL30986852 0.75 MAOA (0.41) ALDH1A1GSK3B

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
WO-2022023439-A1 RADIOLABELED COMPOUNDS KING'S COLLEGE LONDON (GB) 2022-02-03 — — WO disclosed
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