SCHEMBL29227136

SCHEMBL29227136

Oc1ccc2ccccc2c1CCN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.74
▸ MAPT P10636 5/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ ALDH1A1 P00352 5/20 0.55
▸ GAA P10253 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ HPGD P15428 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CNR1 P21554 3/20 0.51
▸ CNR2 P34972 3/20 0.51
▸ HPGDS O60760 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL31618184 0.87 KDM4E (0.72) KDM4EMAPTKMT2AALDH1A1GAA
SCHEMBL31618209 0.87 KDM4E (0.68) KDM4EMAPTKMT2AALDH1A1GAA
SCHEMBL6057649 0.85 KDM4E (1.00) KDM4EMAPTKMT2AALDH1A1GAA
SCHEMBL29227090 0.84 KDM4E (0.56) KDM4EMAPTKMT2AALDH1A1GAA
SCHEMBL5323114 0.80 KMT2A (0.49) KDM4EMAPTKMT2AALDH1A1GAA
SCHEMBL28727062 0.79 KDM4E (0.60) KDM4EMAPTKMT2AALDH1A1GAA
SCHEMBL15020505 0.78 MAPT (0.50) KDM4EMAPTKMT2AALDH1A1GAA
Fumaric Acid SCHEMBL31618127 0.78 KDM4E (0.59) KDM4EMAPTKMT2AALDH1A1GAA
SCHEMBL9935250 0.77 LTA4H (0.63) KDM4EMAPTKMT2ACNR1CNR2
Trifluoroacetic Acid SCHEMBL31618158 0.77 KDM4E (0.54) KDM4EMAPTKMT2AALDH1A1GAA

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
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 — — CN disclosed
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