SCHEMBL8558287

SCHEMBL8558287

Cc1cccc(F)c1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.42
EDNRA P25101 4/20 0.39
EDNRB P24530 3/20 0.39
SLC40A1 Q9NP59 1/20 0.39
TSHR P16473 2/20 0.39
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LIMK2 P53671 1/20 0.38
HTR6 P50406 4/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8560355 0.92 ALDH1A1 (0.53) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8559666 0.92 ALDH1A1 (0.50) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8554061 0.87 ALDH1A1 (0.48) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8556679 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNASLC40A1TSHR
SCHEMBL8555122 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8560513 0.84 MAPT (0.49) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8558680 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8561042 0.84 MAPT (0.42) ALDH1A1MAPTLMNASLC40A1TSHR
SCHEMBL8556990 0.83 MAPT (0.47) ALDH1A1MAPTLMNAEDNRAEDNRB
SCHEMBL8557213 0.83 MAPT (0.47) ALDH1A1MAPTLMNAEDNRAEDNRB

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