SCHEMBL23399520

SCHEMBL23399520

Cc1ccc(-c2[nH]n(C)c(=O)c2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ ALKBH3 Q96Q83 1/20 0.48
▸ MAT2A P31153 8/20 0.45
▸ GAA P10253 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SLC11A2 P49281 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL23400963 1.00 KDM4E (0.50) KDM4EALDH1A1ALKBH3MAT2AGAA
SCHEMBL23401873 0.93 ADORA2A (0.41) KDM4EALDH1A1ALKBH3MAT2AGAA
SCHEMBL23403609 0.92 KDM4E (0.57) KDM4EALDH1A1ALKBH3MAT2AGAA
SCHEMBL23402673 0.86 ALKBH3 (0.43) KDM4EALDH1A1ALKBH3MAT2AKMT2A
SCHEMBL23399721 0.84 ALKBH3 (0.46) KDM4EALDH1A1ALKBH3MAT2AGAA
SCHEMBL23403540 0.83 MAPT (0.39) KDM4EALDH1A1ALKBH3LMNAMAPT
SCHEMBL23402162 0.81 GAA (0.60) KDM4EALDH1A1ALKBH3MAT2AGAA
SCHEMBL23401531 0.81 GAA (0.65) KDM4EALKBH3MAT2AGAAALOX15
SCHEMBL23402367 0.81 GAA (0.60) KDM4EALDH1A1ALKBH3MAT2AGAA
SCHEMBL23401133 0.81 GAA (0.65) KDM4EALKBH3MAT2AGAAALOX15

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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