SCHEMBL29987263

SCHEMBL29987263

COc1ccc(COc2ccc3c(c2)CN(c2ccc(=O)[nH]n2)C3=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ IKZF2 Q9UKS7 1/20 0.39
▸ AOC3 Q16853 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ADAM17 P78536 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
SCHEMBL24667376 1.00 GRM5 (0.40) GRM5HRH3IKZF2AOC3NPC1
SCHEMBL24667440 0.89 PRMT5 (0.42) GRM5MCHR1PRMT5WDR77ADAM17
SCHEMBL30716909 0.89 PRMT5 (0.42) GRM5MCHR1PRMT5WDR77ADAM17
SCHEMBL29986704 0.88 CSNK1A1 (0.39) GRM5HRH3AOC3PIK3CGNR1H4
SCHEMBL24667377 0.88 CSNK1A1 (0.39) GRM5HRH3AOC3PIK3CGNR1H4
SCHEMBL24667583 0.86 GRM5 (0.36) GRM5HRH3IKZF2PIK3CGPDE10A
SCHEMBL29986758 0.86 GRM5 (0.36) GRM5HRH3IKZF2PIK3CGPDE10A
SCHEMBL24667401 0.86 GRM5 (0.36) GRM5HRH3IKZF2PIK3CGPDE10A
SCHEMBL29987383 0.86 GRM5 (0.36) GRM5HRH3IKZF2PIK3CGPDE10A
SCHEMBL24667307 0.85 GRM5 (0.38) GRM5HRH3NPC1RAB9AMCHR1

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-4320114-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2024-02-14 — — EP disclosed
CN-117412960-A Isoindolinone compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2024-01-16 — — CN disclosed
WO-2022216947-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2022-10-13 — — WO disclosed
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