SCHEMBL23948615

SCHEMBL23948615

CCOc1cc(N)c(C)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 6/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
XDH P47989 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AR P10275 2/20 0.39
USP2 O75604 2/20 0.39
BRCA1 P38398 4/20 0.38
ALOX15 P16050 3/20 0.38

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
SCHEMBL23915464 0.87 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL9862178 0.86 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL19554285 0.81 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL21616261 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1981958 0.80 KDM4E (0.55) ALDH1A1KDM4EPOLBL3MBTL1AR
SCHEMBL7797905 0.79 AR (0.40) KDM4EHSD17B10MAPTHPGDL3MBTL1
SCHEMBL12650894 0.78 AR (0.40) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL31714447 0.78 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL11653686 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL653555 0.77 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315834-B Imidazolone derivatives and their use in medicine 成都百裕制药股份有限公司 2024-01-05 CN disclosed
EP-4137491-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2023-02-22 EP disclosed
EP-4137491-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2023-02-22 EP disclosed
CN-114315834-A Imidazolidinone derivatives and their use in medicaments 成都百裕制药股份有限公司 2022-04-12 CN disclosed
WO-2021209055-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-10-21 WO disclosed