SCHEMBL24015972

SCHEMBL24015972

Cn1nnc2c3cc(C(=O)O)ccc3n([C@H]3CC[C@H](C(F)(F)F)CC3)c21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 7/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ RORC P51449 5/20 0.36
▸ TEAD1 P28347 2/20 0.35
▸ TEAD4 Q15561 2/20 0.35
▸ TEAD2 Q15562 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TEAD3 Q99594 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 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
SCHEMBL24015971 1.00 HCAR3 (0.42) HCAR3L3MBTL1HPGDRORCTEAD1
SCHEMBL24015911 0.91 RORC (0.36) HCAR3HPGDRORCKDM4EHSD17B10
SCHEMBL24015912 0.91 RORC (0.36) HCAR3HPGDRORCKDM4EHSD17B10
SCHEMBL30375569 0.81 TEAD1 (0.39) HCAR3L3MBTL1HPGDRORCTEAD1
SCHEMBL25181308 0.81 TEAD1 (0.39) HCAR3L3MBTL1HPGDRORCTEAD1
SCHEMBL25181309 0.81 TEAD1 (0.39) HCAR3L3MBTL1HPGDRORCTEAD1
SCHEMBL24016097 0.80 TEAD1 (0.43) HCAR3L3MBTL1RORCTEAD1TEAD4
SCHEMBL24016092 0.80 TEAD1 (0.43) HCAR3L3MBTL1RORCTEAD1TEAD4
SCHEMBL24016196 0.78 RORC (0.43) RORC
SCHEMBL24016038 0.76 TEAD1 (0.55) HCAR3L3MBTL1HPGDRORCTEAD1

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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