SCHEMBL29808613

SCHEMBL29808613

COc1ccc(S(=O)(=O)N2CCC(Oc3ncnc4ccsc34)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PKM P14618 5/20 0.47
▸ PKLR P30613 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CFTR P13569 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CCR6 P51684 2/20 0.44
▸ TSHR P16473 1/20 0.43

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
SCHEMBL24466985 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL24467002 0.90 KMT2A (0.46) SMN1; SMN2MAPTNPC1RAB9APKM
SCHEMBL29808793 0.90 KMT2A (0.46) SMN1; SMN2MAPTNPC1RAB9APKM
SCHEMBL29808686 0.89 SMN1; SMN2 (0.50) SMN1; SMN2MAPTNPC1RAB9APKM
SCHEMBL24467020 0.89 SMN1; SMN2 (0.50) SMN1; SMN2MAPTNPC1RAB9APKM
SCHEMBL24466948 0.88 MAPT (0.42) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL29714957 0.88 MAPT (0.42) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL24466915 0.88 ALDH1A1 (0.47) SMN1; SMN2MAPTL3MBTL1PKMALDH1A1
SCHEMBL24466980 0.88 LSS (0.46) SMN1; SMN2MAPTL3MBTL1PKMKMT2A
SCHEMBL24466964 0.87 MAPT (0.43) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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
EP-4006037-A1 HETEROCYCLIC COMPOUND Fimecs, Inc. (JP) 2022-06-01 — — EP claimed
EP-4006037-A1 HETEROCYCLIC COMPOUND Fimecs, Inc. (JP) 2022-06-01 — — EP disclosed
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