SCHEMBL29936087

SCHEMBL29936087

CCCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LPAR1 Q92633 1/20 0.45
▸ LPAR2 Q9HBW0 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATM Q13315 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
SCHEMBL18711520 0.75 MEN1 (0.52) MEN1KMT2ALPAR1LPAR2EPHX2
SCHEMBL18701988 0.72 EPHX2 (0.48) PKMMEN1KMT2AEPHX2MAPT
SCHEMBL1939095 0.72 L3MBTL1 (0.51) MEN1KMT2ALMNAMAPK1MAPT
SCHEMBL8103882 0.68 FYN (0.42) MEN1KMT2AEPHX2LMNAMAPK1
SCHEMBL10724375 0.68 POLB (0.67) PKMMEN1KMT2ASMN1; SMN2
SCHEMBL30011251 0.68 LPAR1 (0.52) PKMMEN1KMT2ALPAR1LPAR2
SCHEMBL12169349 0.67 L3MBTL1 (0.69) PKMMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1940087 0.67 HTT (0.46) MEN1KMT2AEPHX2LMNAMAPK1
SCHEMBL14132815 0.67 KDM2B (0.62) PKMMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10263618 0.66 MEN1 (0.47) PKMMEN1KMT2ASIGMAR1L3MBTL1

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-4073073-A1 THIENOPYRIMIDINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2022-10-19 — — EP claimed
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