SCHEMBL21940373

SCHEMBL21940373

Cc1cccc2c1CC1(CCN(C(=O)OC(C)(C)C)CC1)C2NSC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NAMPT P43490 6/20 0.38
▸ GPR119 Q8TDV5 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ STS P08842 1/20 0.36
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL29506188 0.83 TSHR (0.38) TSHRALOX15NAMPTGPR119ATM
SCHEMBL29832328 0.83 TSHR (0.38) TSHRALOX15NAMPTGPR119ATM
SCHEMBL21940374 0.83 TSHR (0.38) TSHRALOX15NAMPTGPR119ATM
SCHEMBL29506184 0.83 TSHR (0.38) TSHRALOX15NAMPTGPR119ATM
SCHEMBL21941112 0.83 TSHR (0.38) TSHRALOX15NAMPTGPR119ATM
SCHEMBL21940622 0.78 STS (0.40) NAMPTSTS
SCHEMBL23024159 0.77 ROCK2 (0.42) TSHRALOX15NAMPTGPR119ATM
SCHEMBL21940602 0.76 KDM1A (0.45) TSHRALOX15GPR119ATMSTS
SCHEMBL23024480 0.74 GPR119 (0.41) TSHRALOX15NAMPTGPR119ATM
SCHEMBL30999897 0.74 GPR119 (0.41) TSHRALOX15NAMPTGPR119ATM

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
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 — — WO disclosed
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