SCHEMBL8561447

SCHEMBL8561447

O=S(=O)(Nc1nc(Cc2ccccc2)oc1-c1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
PGR P06401 1/20 0.44
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 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
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
DUSP26 Q9BV47 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
SCHEMBL8558700 0.92 PGR (0.46) FBP1ALDH1A1MAPTLMNAPGR
SCHEMBL8556712 0.90 MAPT (0.42) ALDH1A1MAPTLMNAPGRKDM4E
SCHEMBL8553814 0.90 MAPT (0.45) FBP1ALDH1A1MAPTLMNAPGR
SCHEMBL8559341 0.89 MAPT (0.44) FBP1ALDH1A1MAPTLMNAPGR
SCHEMBL8555293 0.87 PIK3CG (0.43) ALDH1A1MAPTLMNAPGRKDM4E
SCHEMBL8556141 0.87 KAT6A (0.46) FBP1ALDH1A1MAPTLMNAPGR
SCHEMBL8560337 0.84 MAPT (0.50) FBP1ALDH1A1MAPTLMNAPGR
SCHEMBL8556146 0.84 PGR (0.50) FBP1ALDH1A1MAPTLMNAPGR
SCHEMBL8556039 0.84 MAPT (0.44) FBP1ALDH1A1MAPTLMNAPGR
SCHEMBL8556399 0.83 MAPT (0.49) FBP1ALDH1A1MAPTLMNAPGR

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