SCHEMBL21844939

SCHEMBL21844939

COCC(O)CN(C)S(=O)(=O)c1cccc(C(O)Nc2ccc(C)c(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 5/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL20083959 0.83 LMNA (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL21844941 0.77 GBA1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL15276918 0.73 KMT2A (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL21844938 0.72 LMNA (0.50) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL18948579 0.67 KMT2A (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL15276912 0.67 SIRT2 (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL15276967 0.67 LMNA (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL21844861 0.65 PSEN1 (0.38) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL19157362 0.63 LMNA (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL15276917 0.62 LMNA (0.52) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1

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-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
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