SCHEMBL8560795

SCHEMBL8560795

CCCc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.43
EDNRA P25101 6/20 0.43
NR4A2 P43354 2/20 0.43
TSHR P16473 1/20 0.43
HSD11B1 P28845 2/20 0.42
ELANE P08246 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
METAP2 P50579 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP2C19 P33261 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
SCHEMBL8558727 0.92 MAPT (0.45) EDNRBEDNRAHSD11B1NPSR1MEN1
SCHEMBL8555072 0.90 SLC40A1 (0.45) EDNRBEDNRATSHRHSD11B1ALDH1A1
SCHEMBL9026644 0.87 KMT2A (0.45) NR4A2TSHRALDH1A1KDM4EMEN1
SCHEMBL8557447 0.85 RXRA (0.59) NR4A2TSHRKDM4EHPGDCYP2C19
SCHEMBL8558261 0.84 HSD11B1 (0.44) EDNRBEDNRANR4A2TSHRHSD11B1
SCHEMBL8558225 0.83 NR4A2 (0.48) NR4A2TSHRALDH1A1NPSR1KDM4E
SCHEMBL8556328 0.83 KDM4E (0.51) NR4A2TSHRALDH1A1KDM4EMEN1
SCHEMBL8556764 0.83 MAPT (0.54) EDNRBEDNRATSHRHSD11B1ELANE
SCHEMBL8557632 0.82 NR4A2 (0.57) EDNRBEDNRANR4A2TSHRHSD11B1
SCHEMBL8555394 0.82 NR4A2 (0.47) NR4A2TSHRALDH1A1NPSR1KDM4E

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