SCHEMBL28802673

SCHEMBL28802673

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c3c2nc(CC(=O)O)n3Cc2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 9/20 0.47
▸ ACP1 P24666 2/20 0.43
▸ BCHE P06276 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL24732883 0.94 TLR7 (0.46) TLR7ACP1BCHE
SCHEMBL27213644 0.89 TLR7 (0.47) TLR7ACP1BCHEFABP4SIGMAR1
SCHEMBL29809097 0.88 FABP4 (0.44) TLR7ACP1BCHEHRH3FABP4
SCHEMBL24733118 0.88 FABP4 (0.44) TLR7ACP1BCHEHRH3FABP4
SCHEMBL29808964 0.87 ACP1 (0.45) TLR7ACP1BCHEHRH3FABP4
SCHEMBL24733512 0.87 ACP1 (0.45) TLR7ACP1BCHEHRH3FABP4
SCHEMBL27213640 0.86 ACP1 (0.47) TLR7ACP1BCHEFABP4SIGMAR1
SCHEMBL29977565 0.85 ACP1 (0.44) TLR7ACP1BCHEHRH3FABP4
SCHEMBL24733063 0.84 ACP1 (0.45) TLR7ACP1BCHESIGMAR1MAPT
SCHEMBL29809309 0.84 ACP1 (0.45) TLR7ACP1BCHESIGMAR1MAPT

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-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 — — CN disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 — — WO disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 — — CN disclosed
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