SCHEMBL30864255

SCHEMBL30864255

COCCN(Cc1nn(C)c2cc(C(=O)O)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.38
▸ SSTR4 P31391 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC22A12 Q96S37 3/20 0.35
▸ PTGER4 P35408 8/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ MLYCD O95822 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL30204864 0.82 HCAR3 (0.39) HCAR3ALDH1A1SLC22A12PTGER4CSNK2A1
SCHEMBL6947602 0.77 PTGER4 (0.43) SSTR4ALDH1A1PTGER4HDAC3HDAC1
SCHEMBL12800752 0.74 EPHX2 (0.45) ALDH1A1PTGER4HDAC3HDAC1HDAC2
SCHEMBL23535658 0.73 HCAR3 (0.36) HCAR3SLC22A12CSNK2A1TNKSTNKS2
SCHEMBL30159550 0.73 HCAR3 (0.36) HCAR3SLC22A12CSNK2A1TNKSTNKS2
SCHEMBL30204313 0.73 ALDH1A1 (0.38) ALDH1A1PTGER4CSNK2A1
SCHEMBL4656671 0.72 MLYCD (0.42) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL13984783 0.72 HDAC1 (0.49) ALDH1A1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6944148 0.71 HCAR3 (0.47) HCAR3ALDH1A1
SCHEMBL6944145 0.71 HCAR3 (0.47) HCAR3ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 — — CN disclosed
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