SCHEMBL7590340

SCHEMBL7590340

C=CCS(=O)(=O)c1ccc(-c2cocn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.36
SCN9A Q15858 3/20 0.35
PNMT P11086 1/20 0.35
HDAC4 P56524 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NAAA Q02083 1/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1033426 0.76 CCR9 (0.41) CCR9SCN9AHDAC4EDNRBEDNRA
SCHEMBL12878846 0.74 PTGS2 (0.45) HDAC4EDNRBEDNRAKCNH2
SCHEMBL1032222 0.71 SCN9A (0.39) CCR9SCN9AHDAC4EDNRBEDNRA
SCHEMBL27548591 0.71 MMP2 (0.55) PNMTALDH1A1MEN1MAPTKMT2A
SCHEMBL7589452 0.71 KMT2A (0.47) CCR9ALDH1A1MEN1KMT2ALMNA
SCHEMBL5408423 0.71 LTA4H (0.41) PNMTHDAC4EDNRBEDNRAALDH1A1
SCHEMBL1951726 0.68 HDAC4 (0.46) CCR9SCN9AHDAC4EDNRBEDNRA
SCHEMBL15332478 0.67 HDAC4 (0.41) SCN9AHDAC4EDNRBEDNRAALDH1A1
SCHEMBL9820029 0.67 NPC1 (0.48) PNMTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4012964 0.67 KMT2A (0.44) PNMTALDH1A1MEN1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed