SCHEMBL25060301

SCHEMBL25060301

CCOC(=O)c1[nH]nc(-c2ccc(OC3CC3)cc2)c1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK10 P53779 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL19624845 0.88 MAPT (0.54) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19544883 0.86 MAPT (0.44) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19624848 0.80 MAPT (0.50) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19544607 0.78 MAPK10 (0.43) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL25060299 0.77 KDM4E (0.46) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19544627 0.76 MAPK10 (0.44) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19544602 0.74 MAPT (0.73) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL19533576 0.73 HRH3 (0.42) MAPTALDH1A1HRH3
SCHEMBL17966240 0.72 SMN1; SMN2 (0.60) MAPTALDH1A1MAPK10KDM4ENPC1
SCHEMBL648130 0.71 HPGDS (0.55) MAPTALDH1A1MAPK10AURKARIPK1

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-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 — — EP disclosed
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