SCHEMBL29247641

SCHEMBL29247641

Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3c(N4CCN(C(=O)O)CC4C)ncnc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ OGT O15294 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CCR6 P51684 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ NAMPT P43490 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PLA2G1B P04054 1/20 0.30

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
SCHEMBL29247154 0.90 GPR119 (0.41) TP53LMNATHRB
SCHEMBL30294951 0.90 GPR119 (0.41) TP53LMNATHRB
SCHEMBL29247404 0.90 GPR119 (0.41) TP53LMNATHRB
SCHEMBL29247492 0.85 LIMK2 (0.37) TP53MAPTSMOTSHRCRHBP
SCHEMBL30295267 0.81 GPR119 (0.40) TSHR
SCHEMBL15401147 0.80 NPC1 (0.40) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL29247410 0.79 CNR1 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL30372392 0.78 GPR119 (0.41) KMT2AMEN1
SCHEMBL29247409 0.78 GPR119 (0.41) KMT2AMEN1
SCHEMBL29247058 0.78 SMO (0.42) MAPTSMOTSHRKMT2ACRHBP

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
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