SCHEMBL4786633

SCHEMBL4786633

O=[N+]([O-])c1ccccc1CNS(=O)(=O)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
ALDH1A1 P00352 8/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM1A O60341 1/20 0.49
ACHE P22303 1/20 0.48
TSHR P16473 1/20 0.46
ALDH3A1 P30838 1/20 0.44
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL2634894 0.78 CA12 (0.61) CA12ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4661669 0.76 CA12 (0.66) CA12ALDH1A1MEN1KMT2AHTT
SCHEMBL6050985 0.75 LMNA (0.64) L3MBTL1KDM4EMEN1KMT2AKDM1A
SCHEMBL26116967 0.74 MEN1 (0.49) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1115783 0.73 CA2 (0.55) CA12MEN1KMT2AACHE
SCHEMBL11779612 0.72 ALDH1A1 (0.87) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL17272408 0.71 CA12 (0.53) CA12ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL4973666 0.71 CYP19A1 (0.59) ALDH1A1KDM4EMEN1KMT2AKDM1A
SCHEMBL2060922 0.71 ALDH1A1 (0.58) CA12ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3811125 0.71 CA12 (0.59) CA12ALDH1A1L3MBTL1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP disclosed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO disclosed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO disclosed