SCHEMBL30197575

SCHEMBL30197575

Cc1cc(Br)c2c(c1)C(=O)NCC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 13/20 0.56
▸ PARP11 Q9NR21 11/20 0.56
▸ PARP1 P09874 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.45
▸ ALDH2 P05091 1/20 0.45
▸ ALDH3A1 P30838 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ RAF1 P04049 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39

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
SCHEMBL23952300 1.00 PARP10 (0.56) PARP10PARP11PARP1ALDH1A1ALDH2
SCHEMBL30197872 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL24886285 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL29698189 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL23951998 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL22982047 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL22990298 0.79 PARP10 (0.56) PARP10PARP11PARP1KDM4EACHE
SCHEMBL29698302 0.79 PARP10 (0.56) PARP10PARP11PARP1KDM4EACHE
SCHEMBL22990374 0.76 PARP10 (0.51) PARP10PARP11PARP1KDM4EACHE
SCHEMBL22981764 0.76 PARP10 (0.51) PARP10PARP11PARP1ACHERAF1

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
CN-115397412-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-03-25 — — CN disclosed
EP-4135691-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-02-22 — — EP disclosed
CN-115397412-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2022-11-25 — — CN disclosed
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