SCHEMBL28988946

SCHEMBL28988946

CC(=O)Oc1c(C(=O)O)cccc1-c1cc(C)nn1-c1nc(C)c(C)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GFER P55789 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ HMGB1 P09429 1/20 0.34
▸ GGT1 P19440 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ BLM P54132 1/20 0.34

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
SCHEMBL28989735 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDL3MBTL1GFER
SCHEMBL28988942 0.74 KDM4E (0.47) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL28988944 0.74 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL30396310 0.73 HSD17B10 (0.47) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL28988936 0.73 HSD17B10 (0.47) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL16719162 0.71 KDM4E (0.71) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL8667165 0.67 KDM4E (0.79) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL1358288 0.67 KDM4E (0.63) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL16248157 0.67 KDM4E (0.59) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL30396306 0.66 KMT2A (0.52) ALDH1A1L3MBTL1KMT2ATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4613744-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Guangdong Zhongke Medicine Research Ltd. (CN) 2025-09-10 — — EP disclosed
CN-115991698-B Heterocyclic compound and preparation method and application thereof 广东中科药物研究有限公司 2024-03-29 — — CN disclosed
CN-115991698-A Heterocyclic compound and preparation method and application thereof 广东中科药物研究有限公司 2023-04-21 — — CN disclosed
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