SCHEMBL29809097

SCHEMBL29809097

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 1/20 0.44
▸ ACP1 P24666 4/20 0.44
▸ BCHE P06276 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42
▸ TSPO P30536 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FAAH O00519 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
SCHEMBL24733118 1.00 FABP4 (0.44) FABP4ACP1BCHEHRH3TLR7
SCHEMBL29808964 0.93 ACP1 (0.45) FABP4ACP1BCHEHRH3TLR7
SCHEMBL24733512 0.93 ACP1 (0.45) FABP4ACP1BCHEHRH3TLR7
SCHEMBL28802673 0.88 TLR7 (0.47) FABP4ACP1BCHEHRH3TLR7
SCHEMBL27213640 0.88 ACP1 (0.47) FABP4ACP1BCHETLR7SIGMAR1
SCHEMBL24732883 0.87 TLR7 (0.46) ACP1BCHETLR7
SCHEMBL29977565 0.86 ACP1 (0.44) FABP4ACP1BCHEHRH3TLR7
SCHEMBL24733063 0.85 ACP1 (0.45) ACP1BCHETLR7SIGMAR1KMT2A
SCHEMBL29809309 0.85 ACP1 (0.45) ACP1BCHETLR7SIGMAR1KMT2A
SCHEMBL27213644 0.85 TLR7 (0.47) FABP4ACP1BCHETLR7SIGMAR1

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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