SCHEMBL8560588

SCHEMBL8560588

COC(=O)c1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
EDNRB P24530 5/20 0.42
EDNRA P25101 5/20 0.42
ACLY P53396 2/20 0.42
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
HSD11B1 P28845 1/20 0.41
PTGS1 P23219 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9025484 0.96 KDM4E (0.48) KDM4EKMT2AALDH1A1EDNRBEDNRA
SCHEMBL8556794 0.88 KMT2A (0.52) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL8554887 0.87 NR4A2 (0.54) KDM4EKMT2AALDH1A1EDNRBEDNRA
SCHEMBL9026644 0.81 KMT2A (0.45) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL8556510 0.80 KDM4E (0.51) KDM4EKMT2AALDH1A1ACLYHSD17B10
SCHEMBL8561174 0.80 TSHR (0.44) KDM4EKMT2AALDH1A1EDNRBEDNRA
SCHEMBL5694177 0.79 EDNRB (0.51) KDM4EKMT2AALDH1A1EDNRBEDNRA
SCHEMBL8558225 0.78 NR4A2 (0.48) KDM4EKMT2AALDH1A1HPGDMEN1
SCHEMBL8555394 0.76 NR4A2 (0.47) KDM4EKMT2AALDH1A1HPGDMEN1
SCHEMBL8557632 0.76 NR4A2 (0.57) KDM4EKMT2AALDH1A1EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed