SCHEMBL23810346

SCHEMBL23810346

COc1nccc2c(SN3CCCN(C(=O)OC(C)(C)C)CC3C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 1/20 0.36
▸ SMARCA4 P51532 1/20 0.36
▸ PBRM1 Q86U86 1/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ USP30 Q70CQ3 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 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
SCHEMBL23810437 0.80 MMP13 (0.45) MMP1MMP9MMP13GPR119APLNR
SCHEMBL23795420 0.80 MMP13 (0.45) MMP1MMP9MMP13GPR119APLNR
SCHEMBL24178165 0.73 MMP13 (0.43) MMP1MMP9MMP13PARP1APLNR
SCHEMBL30439175 0.73 MMP13 (0.43) MMP1MMP9MMP13PARP1APLNR
SCHEMBL23795403 0.73 MMP13 (0.43) MMP1MMP9MMP13PARP1APLNR
SCHEMBL24177988 0.71 MMP13 (0.41) MMP1MMP9MMP13GPR119APLNR
SCHEMBL23795385 0.71 MMP13 (0.41) MMP1MMP9MMP13GPR119APLNR
SCHEMBL23810433 0.70 HTR6 (0.38) MMP1MMP9MMP13PARP1APLNR
SCHEMBL31399710 0.69 ALDH1A1 (0.49) ACHE
SCHEMBL23795306 0.69 CNR1 (0.44) SMARCA2SMARCA4PBRM1MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3878846-A1 RHO KINASE INHIBITOR, METHOD FOR PREPARING SAME AND USES THEREOF Beijing Increase Innovative Drug Co., Ltd. (CN) 2021-09-15 — — EP disclosed
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