SCHEMBL3670052

SCHEMBL3670052

Cc1ccc(S(=O)(=O)N(C)Cc2c(C)c([N+](=O)[O-])cc3c2[N]C(=O)C(=O)N3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
CASP3 P42574 4/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
VCAM1 P19320 3/20 0.35
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8551898 0.83 MAPT (0.31) MAPT
SCHEMBL8548071 0.77 L3MBTL1 (0.34) KDM4EHSD17B10MAPTVCAM1HPGD
SCHEMBL2903425 0.74 LMNA (0.32) MAPTSMN1; SMN2LMNA
SCHEMBL3686484 0.74 RXFP1 (0.54) RXFP1KDM4EHSD17B10POLBMCOLN3
SCHEMBL3668017 0.73 CCR6 (0.36) KDM4EHSD17B10POLBCASP3MAPT
SCHEMBL3674251 0.71 TSHR (0.38) KDM4EHSD17B10POLBCASP3TSHR
SCHEMBL3668151 0.68 GPR35 (0.42) KDM4EHSD17B10POLBCASP3MAOA
SCHEMBL8608349 0.68 KMT2A (0.39) POLBMAPTTSHRMEN1KMT2A
SCHEMBL9036583 0.65 CA2 (0.45) KDM4EPOLBMAPTVCAM1HPGD
SCHEMBL3686813 0.63 KDM4E (0.48) RXFP1KDM4EHSD17B10POLBMAPT

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-2150248-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE The Johns Hopkins University (US) 2010-02-10 EP disclosed
WO-2008088820-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2008-07-24 WO disclosed