SCHEMBL9025550

SCHEMBL9025550

O=S(=O)(Nc1nc(COc2ccccc2)oc1-c1ccccc1)c1ccccc1.O=S(=O)(Nc1nc(Cc2ccccc2)oc1-c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.46
LIMK2 P53671 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
AURKA O14965 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTGER4 P35408 1/20 0.38
POLB P06746 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
PGR P06401 1/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8561913 0.93 AR (0.46) ARALDH1A1MAPTAURKALMNA
SCHEMBL8557471 0.90 MAPT (0.48) LIMK2ALDH1A1MAPTAURKALMNA
SCHEMBL8555123 0.86 AR (0.51) ARMAPTKDM4ENPC1RAB9A
SCHEMBL8557604 0.86 AR (0.51) ARALDH1A1KDM4EPOLBBCL2L1
SCHEMBL8554235 0.84 MEN1 (0.45) ARPTGER4BCL2L1MCL1TDP1
SCHEMBL8556972 0.84 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL8561015 0.83 MAPT (0.48) ALDH1A1MAPTPTGES2LMNASMN1; SMN2
SCHEMBL8555920 0.83 PGR (0.46) MAPTLMNAKDM4EPOLBPGR
SCHEMBL8559033 0.83 GRM5 (0.44) ARMAPTPGR
SCHEMBL9025133 0.83 AR (0.46) ARLIMK2ALDH1A1MAPTPTGES2

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 2 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