SCHEMBL28988936

SCHEMBL28988936

CC(=O)Oc1ccccc1C(=O)Oc1cc(C)nn1-c1nc(C)c(C)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAPT P10636 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTGS2 P35354 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ HMGB1 P09429 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GGT1 P19440 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL30396310 1.00 HSD17B10 (0.47) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL30396306 0.81 KMT2A (0.52) LMNAMAPTTDP1KMT2AALDH1A1
SCHEMBL28988941 0.77 SIRT2 (0.34) KDM4ELMNACYP1A2MAPTKMT2A
SCHEMBL31681891 0.77 SIRT2 (0.34) KDM4ELMNACYP1A2MAPTKMT2A
SCHEMBL31681892 0.77 SIRT2 (0.34) KDM4ELMNACYP1A2MAPTKMT2A
SCHEMBL21774344 0.76 MAPT (0.53) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL28988946 0.73 ALDH1A1 (0.45) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL31681887 0.71 POLB (0.43) KDM4EMAPTTDP1KMT2AALDH1A1
SCHEMBL28988933 0.71 POLB (0.43) KDM4EMAPTTDP1KMT2AALDH1A1
SCHEMBL28989735 0.70 ALDH1A1 (0.43) KDM4EMAPTKMT2AALDH1A1HPGD

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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