SCHEMBL29247644

SCHEMBL29247644

Cc1ccc(S(=O)(=O)n2cc(Br)c3c(N4CCN(C(=O)OC(C)(C)C)[C@H](C)C4)ncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.45
▸ MAP4K4 O95819 1/20 0.43
▸ LIMK2 P53671 10/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ NR1H2 P55055 3/20 0.37
▸ NR1H3 Q13133 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 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
SCHEMBL29247649 1.00 GPR119 (0.45) GPR119MAP4K4LIMK2ROCK2LIMK1
SCHEMBL30372808 1.00 GPR119 (0.45) GPR119MAP4K4LIMK2ROCK2LIMK1
SCHEMBL30372628 0.93 LIMK2 (0.44) GPR119MAP4K4LIMK2ROCK2LIMK1
SCHEMBL30294934 0.90 GPR119 (0.45) GPR119MAP4K4LIMK2HDAC1NR1H2
SCHEMBL29247091 0.90 GPR119 (0.45) GPR119MAP4K4LIMK2HDAC1NR1H2
SCHEMBL29247096 0.90 GPR119 (0.45) GPR119MAP4K4LIMK2HDAC1NR1H2
SCHEMBL29247773 0.89 GPR119 (0.44) GPR119MAP4K4LIMK2HDAC1NR1H2
SCHEMBL29247230 0.89 GPR119 (0.44) GPR119MAP4K4LIMK2HDAC1NR1H2
SCHEMBL30295286 0.89 GPR119 (0.44) GPR119MAP4K4LIMK2HDAC1NR1H2
SCHEMBL30372822 0.89 GPR119 (0.44) GPR119MAP4K4LIMK2HDAC1NR1H2

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-118317963-A TRPML modulators, compositions thereof, and methods of use 卡拉韦治疗公司 2024-07-09 — — CN disclosed
Send feedback