SCHEMBL13724345

SCHEMBL13724345

Cc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4ccc(N)cc4c(=O)n3C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ PKM P14618 4/20 0.41
▸ METAP1 P53582 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GBA1 P04062 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL13723945 0.91 ATM (0.43) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL3825392 0.91 PKM (0.39) LMNAGAAKDM4EPKMALDH1A1
SCHEMBL3817436 0.90 CFTR (0.47) LMNAKDM4EHSD11B1PKMALDH1A1
SCHEMBL3820012 0.89 LMNA (0.48) LMNAGAAKDM4EHSD11B1PKM
SCHEMBL15457091 0.89 LMNA (0.47) LMNAGAAKDM4EHSD11B1PKM
SCHEMBL3820657 0.89 GAA (0.47) LMNAGAAKDM4EHSD11B1PKM
SCHEMBL15457177 0.87 CFTR (0.46) LMNAGAAKDM4EHSD11B1PKM
SCHEMBL15457062 0.86 HSD11B1 (0.52) LMNAGAAKDM4EHSD11B1METAP1
SCHEMBL3823767 0.86 GPR6 (0.47) LMNAGAAKDM4EHSD11B1PKM
SCHEMBL15457294 0.84 GAA (0.46) LMNAGAAKDM4EHSD11B1PKM

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-1646615-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-08-26 — — EP disclosed
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