SCHEMBL24976045

SCHEMBL24976045

COc1cc(/C=C2\Nc3ccccc3C2=N)ccc1OCC(=O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ QPCT Q16769 1/20 0.40
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ GSK3B P49841 1/20 0.40

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
SCHEMBL31428766 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27956516 0.74 MEN1 (0.67) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8218393 0.72 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8218397 0.72 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8218399 0.72 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8220485 0.70 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8220477 0.70 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8220489 0.70 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5695413 0.68 MAPT (0.60) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL5695423 0.68 MAPT (0.60) KDM4EALDH1A1HPGDHSD17B10MAPT

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
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 — — WO disclosed
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