SCHEMBL28988944

SCHEMBL28988944

Cc1cc(-c2ccncc2C(=O)O)n(-c2nc(C)c(C)nc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4C Q9H3R0 6/20 0.35
▸ KDM5A P29375 2/20 0.35
▸ KDM5B Q9UGL1 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.35
▸ DHODH Q02127 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ KDM6B O15054 1/20 0.33

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) ALDH1A1L3MBTL1MEN1KMT2ACA12
SCHEMBL28988942 0.76 KDM4E (0.47) ALDH1A1L3MBTL1KDM4CKDM5AKDM5B
SCHEMBL28988946 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL30863845 0.67 KDM4C (0.57) ALDH1A1L3MBTL1KDM4CKDM5AKDM5B
SCHEMBL31681887 0.65 POLB (0.43) ALDH1A1KDM4CKDM5AKDM5BTDP1
SCHEMBL31681889 0.65 LMNA (0.38) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL28988940 0.65 LMNA (0.38) ALDH1A1L3MBTL1TDP1MEN1KMT2A
SCHEMBL29571308 0.64 TDP1 (0.68) ALDH1A1L3MBTL1KDM4CTDP1SIRT3
SCHEMBL258230 0.64 TDP1 (0.68) ALDH1A1L3MBTL1KDM4CTDP1SIRT3
SCHEMBL31681893 0.64 KDM4E (0.40) ALDH1A1MEN1KMT2ACYP2C9CYP2C19

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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