SCHEMBL19624848

SCHEMBL19624848

CCOC(=O)c1[nH]nc(-c2ccc(OC3CC4CC4C3)cc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPK10 P53779 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ RIPK1 Q13546 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGDS O60760 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CDC25B P30305 2/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TTK P33981 1/20 0.35

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 0.91 MAPT (0.54) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19544607 0.89 MAPK10 (0.43) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL25060301 0.80 MAPT (0.44) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19544883 0.80 MAPT (0.44) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19544978 0.78 MAPT (0.67) MAPTALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL5317300 0.77 HDAC6 (0.54) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL27321802 0.77 RAB9A (0.63) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19533582 0.76 HRH3 (0.35) MAPTALDH1A1KDM4EHSD17B10ALPL
SCHEMBL19624694 0.75 MAPT (0.46) MAPTALDH1A1MAPK10AURKARIPK1
SCHEMBL19544627 0.74 MAPK10 (0.44) 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 2 patents. 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
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
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