SCHEMBL29967523

SCHEMBL29967523

COc1cc(C2=CCCCC2)ccc1-c1cccc2[nH]nc(NCc3ccccc3C(=O)O)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 8/20 0.41
▸ ABL1 P00519 2/20 0.37
▸ BCR P11274 2/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ SERPINE1 P05121 1/20 0.37
▸ FABP4 P15090 1/20 0.35
▸ EIF2AK1 Q9BQI3 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ASPH Q12797 1/20 0.34
▸ KDM8 Q8N371 1/20 0.34
▸ AGTR2 P50052 1/20 0.33
▸ BRS3 P32247 1/20 0.33
▸ DHODH Q02127 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
SCHEMBL29968332 0.89 ACMSD (0.38) MAPK8ACMSDSERPINE1AGTR2DHODH
SCHEMBL29967914 0.89 AGTR2 (0.40) MAPK8ABL1BCRACMSDSERPINE1
SCHEMBL29968259 0.86 AGTR2 (0.37) MAPK8ABL1BCRACMSDAGTR2
SCHEMBL31029250 0.84 DHODH (0.39) MAPK8ABL1BCRACMSDAGTR2
SCHEMBL29967996 0.81 ABL1 (0.38) MAPK8ABL1BCR
SCHEMBL29968331 0.80 KDM4C (0.38) MAPK8ACMSDSERPINE1KDM4EAGTR2
SCHEMBL29967968 0.77 MAPK10 (0.44) MAPK8SERPINE1
SCHEMBL29968241 0.77 ACMSD (0.36) MAPK8ABL1BCRACMSDSERPINE1
SCHEMBL29967707 0.76 MAPK10 (0.43) MAPK8ABL1BCRAGTR2
SCHEMBL29968299 0.76 KIT (0.43) MAPK8ABL1BCRHDAC6

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-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 — — CN disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 — — CN disclosed
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