SCHEMBL24060649

SCHEMBL24060649

COC(=O)c1cc(SCc2cccc(C)c2)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ AR P10275 1/20 0.38

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
SCHEMBL18981747 0.88 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL20449219 0.83 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL10741387 0.75 L3MBTL1 (0.47) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL28376763 0.74 L3MBTL1 (0.52) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL25612415 0.70 L3MBTL1 (0.50) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL15129555 0.70 L3MBTL1 (0.42) SMN1; SMN2ALDH1A1HPGDKMT2ANPC1
SCHEMBL1110997 0.69 GAA (0.57) MAPTSMN1; SMN2LMNAHPGDNPC1
SCHEMBL25612345 0.69 L3MBTL1 (0.49) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL25612343 0.69 L3MBTL1 (0.49) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL28557250 0.69 PTPRG (0.57) MAPTALDH1A1KMT2AL3MBTL1HTT

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
EP-3390382-B1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2021-12-01 — — EP disclosed
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