SCHEMBL28435767

SCHEMBL28435767

Cn1nnc(-c2ccccc2O)c1COC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ PDE4D Q08499 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ SLCO1B1 Q9Y6L6 4/20 0.37
▸ ABCB11 O95342 2/20 0.35
▸ PBRM1 Q86U86 7/20 0.35
▸ NR1I2 O75469 5/20 0.35
▸ SMARCA2 P51531 5/20 0.35
▸ SMARCA4 P51532 5/20 0.35
▸ NR1H3 Q13133 3/20 0.35
▸ NR1H2 P55055 3/20 0.35
▸ CARM1 Q86X55 2/20 0.34
▸ PRMT6 Q96LA8 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL22252516 0.81 SLCO1B1 (0.47) KDM4EL3MBTL1PDE4DPDE7ASLCO1B1
SCHEMBL28432883 0.77 LPAR1 (0.36) KDM4EL3MBTL1CHRM1MAPTLPAR1
SCHEMBL28431958 0.76 TSHR (0.40) KDM4EL3MBTL1CASRMAPT
SCHEMBL29272615 0.71 SLCO1B1 (0.45) SLCO1B1ABCB11CARM1PRMT6HRH3
SCHEMBL25278645 0.70 KDM4C (0.35) —
SCHEMBL22252461 0.67 SLCO1B1 (0.76) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL1836024 0.66 KDM4E (0.52) KDM4EL3MBTL1CARM1PRMT6HRH3
SCHEMBL21058017 0.66 GABRA5 (0.40) PDE4DPDE7ASLCO1B1LPAR1
SCHEMBL1837026 0.65 KDM4E (0.51) KDM4EL3MBTL1HRH3
SCHEMBL1837906 0.65 KDM4E (0.51) KDM4EL3MBTL1HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654606-A Triazole compound and preparation method and application thereof 武汉朗来科技发展有限公司 2021-04-13 — — CN disclosed
CN-111434653-A Triazole compound and preparation method and application thereof 武汉朗来科技发展有限公司 2020-07-21 — — CN disclosed
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