SCHEMBL8556039

SCHEMBL8556039

O=S(=O)(Nc1nc(Cc2ccccc2)oc1-c1cc(Cl)cc(Cl)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
PGR P06401 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
FBP1 P09467 2/20 0.42
SLC40A1 Q9NP59 1/20 0.42
TP53 P04637 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
KDM1A O60341 1/20 0.40
LIMK2 P53671 1/20 0.39
TSHR P16473 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
SCHEMBL8556146 0.91 PGR (0.50) MAPTALDH1A1LMNAPGRKDM4E
SCHEMBL8560337 0.90 MAPT (0.50) MAPTALDH1A1LMNAPGRKDM4E
SCHEMBL8557471 0.88 MAPT (0.48) MAPTALDH1A1LMNAKDM4ERXFP1
SCHEMBL8560000 0.87 KMO (0.47) MAPTALDH1A1LMNAPGRKDM4E
SCHEMBL8555551 0.86 MAPT (0.43) MAPTALDH1A1LMNAKDM4ERXFP1
SCHEMBL8557996 0.86 MAPT (0.46) MAPTALDH1A1LMNAGAANPSR1
SCHEMBL8555914 0.85 MAPT (0.43) MAPTALDH1A1LMNAPGRKDM4E
SCHEMBL8560392 0.85 MAPT (0.44) MAPTALDH1A1LMNAPGRKDM4E
SCHEMBL8554941 0.84 MAPT (0.41) MAPTALDH1A1LMNAPGRKDM4E
SCHEMBL8559699 0.84 MAPT (0.43) MAPTALDH1A1LMNAPGRKDM4E

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