SCHEMBL29809309

SCHEMBL29809309

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c3c2nc(SC)n3Cc2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 6/20 0.45
▸ TLR7 Q9NYK1 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ PTGIR P43119 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ BCHE P06276 1/20 0.38

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
SCHEMBL24733063 1.00 ACP1 (0.45) ACP1TLR7SIGMAR1HTR1AHTR1D
SCHEMBL27213623 0.92 ACP1 (0.39) ACP1TLR7SIGMAR1PTGIRRAB9A
SCHEMBL27213640 0.89 ACP1 (0.47) ACP1TLR7SIGMAR1HTR1AHTR1D
SCHEMBL27213583 0.87 PTGIR (0.39) ACP1TLR7SIGMAR1HTR1AHTR1D
SCHEMBL29809097 0.85 FABP4 (0.44) ACP1TLR7SIGMAR1RAB9AMAPT
SCHEMBL29977565 0.85 ACP1 (0.44) ACP1TLR7SIGMAR1HTR1AHTR1D
SCHEMBL24733118 0.85 FABP4 (0.44) ACP1TLR7SIGMAR1RAB9AMAPT
SCHEMBL29808964 0.84 ACP1 (0.45) ACP1TLR7SIGMAR1SSTR5MAPT
SCHEMBL24733512 0.84 ACP1 (0.45) ACP1TLR7SIGMAR1SSTR5MAPT
SCHEMBL28802673 0.84 TLR7 (0.47) ACP1TLR7SIGMAR1MAPTBCHE

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 2 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
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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