SCHEMBL7589452

SCHEMBL7589452

C=CCS(=O)(=O)c1ccc(-c2cnco2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
NOTUM Q6P988 1/20 0.46
GAA P10253 1/20 0.46
PTK2 Q05397 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KEAP1 Q14145 1/20 0.43
LTA4H P09960 1/20 0.40
CCR9 P51686 5/20 0.39
AAK1 Q2M2I8 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL343986 0.76 NOTUM (0.61) KMT2APOLBLMNAPKMNOTUM
SCHEMBL9026241 0.74 LMNA (0.59) KMT2APOLBLMNAPKMNOTUM
SCHEMBL3095961 0.74 NOTUM (0.55) KMT2APOLBLMNAPKMNOTUM
SCHEMBL13836472 0.74 PKM (0.55) KMT2APOLBLMNAPKMNOTUM
SCHEMBL11305429 0.74 KMT2A (0.61) KMT2APOLBLMNAPKMNOTUM
SCHEMBL10768177 0.73 PKM (0.78) KMT2APOLBLMNAPKMNOTUM
SCHEMBL14620819 0.72 NOTUM (0.56) KMT2APOLBLMNAPKMNOTUM
SCHEMBL7848317 0.72 PNMT (0.36) KMT2ALMNAMEN1KDM4EALDH1A1
SCHEMBL13389167 0.71 KMT2A (0.50) KMT2APOLBLMNAPKMNOTUM
SCHEMBL14969344 0.71 KMT2A (0.61) KMT2APOLBLMNAPKMNOTUM

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 7 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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US 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