SCHEMBL24510632

SCHEMBL24510632

O=C1NCC2(CCCC2)c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ TDP2 O95551 2/20 0.41
▸ PARP11 Q9NR21 1/20 0.41
▸ CDC7 O00311 6/20 0.40
▸ DBF4 Q9UBU7 6/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.37
▸ CMA1 P23946 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ S100A4 P26447 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPKAPK2 P49137 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
SCHEMBL24510668 0.98 PARP10 (0.46) PARP10PARP1TDP2PARP11CDC7
SCHEMBL24509680 0.97 PARP10 (0.47) PARP10PARP1TDP2PARP11CDC7
SCHEMBL21351074 0.94 PARP10 (0.50) PARP10PARP1TDP2PARP11CDC7
SCHEMBL24457320 0.88 TDP2 (0.44) PARP10PARP1TDP2PARP11CDC7
SCHEMBL24457118 0.84 TDP2 (0.44) PARP10PARP1TDP2PARP11CDC7
SCHEMBL24510107 0.82 PARP10 (0.49) PARP10PARP1TDP2PARP11TGM2
SCHEMBL12077241 0.81 TDP2 (0.46) PARP10PARP1TDP2PARP11CDC7
SCHEMBL22855430 0.78 CDC7 (0.41) PARP1TDP2CDC7DBF4S100A4
SCHEMBL23865208 0.78 PARP10 (0.50) PARP10PARP1TDP2PARP11TGM2
SCHEMBL21332980 0.78 PARP10 (0.50) PARP10PARP1TDP2PARP11CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 — — EP disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 — — WO disclosed
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