SCHEMBL22342534

SCHEMBL22342534

Cc1ccc(-c2cc(C)nc3ncnn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 1.00
▸ ALDH1A1 P00352 7/20 1.00
▸ HPGD P15428 4/20 1.00
▸ TSHR P16473 1/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ MAPT P10636 1/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ LMNA P02545 2/20 0.69
▸ GAA P10253 2/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ PKM P14618 1/20 0.63
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ ENPP1 P22413 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ EGLN2 Q96KS0 3/20 0.50
▸ HTT P42858 1/20 0.49
▸ GLA P06280 1/20 0.49

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
SCHEMBL11062897 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL4104295 0.74 MEN1 (1.00) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL10123160 0.74 KDM4E (0.67) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL259453 0.73 ALDH1A1 (1.00) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9717697 0.70 ALDH1A1 (0.67) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL272835 0.70 ALDH1A1 (0.67) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL864946 0.70 ALDH1A1 (0.67) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL5151528 0.70 ALDH1A1 (0.67) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL609785 0.70 ALDH1A1 (0.67) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL22342511 0.70 KDM4E (0.60) KDM4EALDH1A1HPGDTSHRHSD17B10

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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