SCHEMBL23154609

SCHEMBL23154609

Cn1cc(C(C)(C)O)cn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 1/20 0.34
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
AR P10275 1/20 0.32
RORC P51449 1/20 0.32
PIK3CD O00329 1/20 0.31

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
SCHEMBL179481 0.81 KDM5B (0.33) ALDH1A1HTTSMN1; SMN2L3MBTL1SLC22A12
SCHEMBL17018460 0.79 ALDH1A1 (0.34) ALDH1A1HTTSMN1; SMN2L3MBTL1RORC
SCHEMBL19815546 0.77 PIK3CD (0.33) ALDH1A1HTTSMN1; SMN2L3MBTL1PIK3CD
SCHEMBL19135627 0.77 ALDH1A1 (0.31) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL2611113 0.76 NPBWR1 (0.41) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL21863672 0.74 ALDH1A1 (0.33) ALDH1A1HTTSMN1; SMN2L3MBTL1RORC
SCHEMBL19176085 0.74 JAK2 (0.35) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL21536772 0.74 ALOX5AP (0.33)
SCHEMBL24861815 0.74 JAK2 (0.33) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL15038278 0.74 FDPS (0.36) ALDH1A1HTTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015513-B1 IRAK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEV CO LTD (CN) 2023-11-01 EP disclosed
EP-4056568-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-14 EP disclosed
EP-4015513-A1 IRAK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2022-06-22 EP disclosed
WO-2021057785-A1 IRAK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海美悦生物科技发展有限公司 2021-04-01 WO disclosed