SCHEMBL8555072

SCHEMBL8555072

CCc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.45
EDNRB P24530 6/20 0.45
EDNRA P25101 6/20 0.45
TSHR P16473 1/20 0.44
HSD11B1 P28845 2/20 0.44
PTPN2 P17706 2/20 0.43
PTPN1 P18031 2/20 0.43
PTPN5 P54829 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8560795 0.90 EDNRB (0.43) SLC40A1EDNRBEDNRATSHRHSD11B1
SCHEMBL8558261 0.86 HSD11B1 (0.44) EDNRBEDNRATSHRHSD11B1PTPN2
SCHEMBL8556764 0.85 MAPT (0.54) SLC40A1EDNRBEDNRATSHRHSD11B1
SCHEMBL8557632 0.84 NR4A2 (0.57) EDNRBEDNRATSHRHSD11B1PTPN2
SCHEMBL8561174 0.83 TSHR (0.44) EDNRBEDNRATSHRALDH1A1NPSR1
SCHEMBL8558805 0.82 ALDH1A1 (0.53) TSHRALDH1A1MAPTMEN1CYP2C9
SCHEMBL8553642 0.82 AR (0.46) TSHRHSD11B1PTPN2PTPN1PTPN5
SCHEMBL8557447 0.82 RXRA (0.59) TSHRKDM4EHPGDCYP2C19
SCHEMBL8555436 0.82 TSHR (0.41) EDNRBEDNRATSHRHSD11B1PTPN2
SCHEMBL8558727 0.82 MAPT (0.45) EDNRBEDNRAHSD11B1PTPN2PTPN1

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