SCHEMBL4066459

SCHEMBL4066459

COc1ccc(S(=O)(=O)N2CCN(CCc3nc(OC4CCCCC4)c4ccccc4n3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.67
HSD11B1 P28845 1/20 0.48
LMNA P02545 1/20 0.48
GBA1 P04062 5/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PKM P14618 2/20 0.45
CCR6 P51684 1/20 0.45
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5741493 0.99 CFTR (0.65) CFTRHSD11B1LMNAGBA1KDM4E
SCHEMBL5742703 0.93 CFTR (0.58) CFTRHSD11B1LMNAGBA1KDM4E
SCHEMBL5791138 0.93 CFTR (0.57) CFTRHSD11B1LMNAGBA1KDM4E
SCHEMBL3821514 0.91 CFTR (0.69) CFTRHSD11B1LMNAGBA1KDM4E
SCHEMBL3823433 0.90 CFTR (0.67) CFTRHSD11B1LMNAGBA1KDM4E
SCHEMBL5739907 0.89 CFTR (0.54) CFTRHSD11B1LMNAGBA1KDM4E
SCHEMBL5743239 0.89 LMNA (0.55) CFTRHSD11B1LMNAGBA1SMN1; SMN2
SCHEMBL5741485 0.89 CFTR (0.51) CFTRLMNAGBA1MAPTSMN1; SMN2
SCHEMBL5742915 0.89 MEN1 (0.54) CFTRLMNAGBA1KDM4EGAA
SCHEMBL5742004 0.88 CFTR (0.53) CFTRLMNAGBA1KDM4EGAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925317-A1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE Università Degli Studi Di Padova (IT) 2015-10-07 EP claimed
WO-2014086687-A1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2014-06-12 WO claimed
EP-3030657-A1 LIGASE E3 RNF185 INHIBITORS AND USES THEREOF Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2016-06-15 EP disclosed
EP-2925317-A1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE Università Degli Studi Di Padova (IT) 2015-10-07 EP disclosed
WO-2015018831-A1 LIGASE E3 RNF185 INHIBITORS AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-02-12 WO disclosed
WO-2014086687-A1 A CFTR CORRECTOR FOR THE TEATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2014-06-12 WO disclosed
WO-2009105234-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH DEFECTS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR GENE OR PROTEIN COMBINATORX, INCORPORATED (US) 2009-08-27 WO disclosed
EP-1646615-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-04-19 EP disclosed
WO-2004111014-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-23 WO disclosed