SCHEMBL23399721

SCHEMBL23399721

Cc1cccc(-c2[nH]n(C)c(=O)c2-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH3 Q96Q83 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ GAA P10253 4/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAT2A P31153 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 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
SCHEMBL23402673 0.93 ALKBH3 (0.43) ALKBH3KDM4EALDH1A1KMT2AMAT2A
SCHEMBL23403609 0.85 KDM4E (0.57) ALKBH3KDM4EALDH1A1KMT2AGAA
SCHEMBL23400963 0.84 KDM4E (0.50) ALKBH3KDM4EALDH1A1KMT2AGAA
SCHEMBL23399520 0.84 KDM4E (0.50) ALKBH3KDM4EALDH1A1KMT2AGAA
SCHEMBL23401049 0.83 MAPK14 (0.41) ALKBH3KDM4EALDH1A1KMT2AMEN1
SCHEMBL23398844 0.82 GAA (0.61) ALKBH3KDM4EALDH1A1KMT2AGAA
SCHEMBL23403082 0.82 ALKBH3 (0.42) ALKBH3KDM4EALDH1A1KMT2AGAA
SCHEMBL23400862 0.81 ALKBH3 (0.44) ALKBH3ALDH1A1KMT2AGAAALOX15
SCHEMBL23402170 0.81 ALKBH3 (0.44) ALKBH3ALDH1A1KMT2AGAAALOX15
SCHEMBL23400472 0.81 ALKBH3 (0.46) ALKBH3ALDH1A1KMT2AGAAALOX15

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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