SCHEMBL24016495

SCHEMBL24016495

Cn1cc2c(n1)c1cc(C(=O)O)ccc1n2[C@H]1CC[C@H](C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HCAR3 P49019 5/20 0.40
▸ TEAD1 P28347 2/20 0.39
▸ TEAD4 Q15561 2/20 0.39
▸ TEAD2 Q15562 2/20 0.39
▸ TEAD3 Q99594 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24015878 0.93 HCAR3 (0.39) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24016540 0.93 HCAR3 (0.39) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24015879 0.93 HCAR3 (0.39) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24016537 0.91 L3MBTL1 (0.51) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24016110 0.90 L3MBTL1 (0.53) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24016562 0.88 L3MBTL1 (0.39) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24016515 0.88 L3MBTL1 (0.39) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24016092 0.87 TEAD1 (0.43) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24016097 0.87 TEAD1 (0.43) L3MBTL1HCAR3TEAD1TEAD4TEAD2
SCHEMBL24015883 0.83 TEAD1 (0.42) L3MBTL1TEAD1TEAD4TEAD2TEAD3

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
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 — — WO disclosed
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