SCHEMBL22342511

SCHEMBL22342511

Cc1cc(-c2cc3ccccc3o2)n2ncnc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.60
▸ MAPT P10636 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ GAA P10253 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HSD17B10 Q99714 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PKM P14618 1/20 0.50
▸ PDE2A O00408 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ENPP1 P22413 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL10123160 0.72 KDM4E (0.67) KDM4EMAPTMAPK1ALDH1A1GAA
SCHEMBL22342534 0.70 KDM4E (1.00) KDM4EMAPTMAPK1ALDH1A1GAA
SCHEMBL11062897 0.69 KDM4E (0.74) KDM4EMAPTMAPK1ALDH1A1GAA
SCHEMBL19336870 0.68 MKNK1 (0.73) MKNK1
SCHEMBL31069533 0.68 NPC1 (0.47) KDM4EMAPTALDH1A1LMNAHSD17B10
SCHEMBL259453 0.66 ALDH1A1 (1.00) KDM4EMAPTMAPK1ALDH1A1GAA
SCHEMBL30036439 0.65 MAOB (0.63) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL103158 0.65 MAOB (0.63) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL13064173 0.64 ALDH1A1 (0.62) KDM4EMAPTMAPK1ALDH1A1GAA
SCHEMBL21472147 0.64 MAOB (0.54) KDM4EMAPTALDH1A1MEN1KMT2A

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-3696239-A1 USE OF EUCALYPTOL AND COMPOSITIONS CONTAINING IT Berteina-Raboin, Sabine (FR) 2020-08-19 — — EP disclosed
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