SCHEMBL25214415

SCHEMBL25214415

O=C(C1CC1)N1CCc2ccc(S(=O)(=O)NC(c3ccc(F)cc3)C(F)(F)F)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MOGAT2 Q3SYC2 3/20 0.43
▸ RORC P51449 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL30471003 1.00 MOGAT2 (0.43) MOGAT2RORCKMT2ATP53LMNA
SCHEMBL31528389 0.94 IDO1 (0.43) MOGAT2RORCKMT2ATP53LMNA
SCHEMBL30471098 0.92 RORC (0.41) MOGAT2RORCKMT2ATP53LMNA
SCHEMBL25244085 0.92 RORC (0.41) MOGAT2RORCKMT2ATP53LMNA
SCHEMBL30471234 0.88 ESR1 (0.50) MOGAT2KMT2AGAAUSP2ALDH1A1
SCHEMBL25590650 0.88 ESR1 (0.50) MOGAT2KMT2AGAAUSP2ALDH1A1
SCHEMBL25215175 0.86 GAA (0.43) MOGAT2RORCKMT2AGAAUSP2
SCHEMBL25247343 0.86 MOGAT2 (0.44) MOGAT2KMT2AGAAUSP2ALDH1A1
SCHEMBL30471047 0.86 GAA (0.43) MOGAT2RORCKMT2AGAAUSP2
SCHEMBL30471164 0.86 MOGAT2 (0.44) MOGAT2KMT2AGAAUSP2ALDH1A1

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
WO-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 — — WO disclosed
WO-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 — — WO disclosed
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