SCHEMBL9025890

SCHEMBL9025890

O=C(O)c1ccc(OCc2nc(-c3ccccc3)c(NS(=O)(=O)c3ccccc3)o2)cc1.O=S(=O)(Nc1oc(COc2ccc(F)cc2)nc1-c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
BCL2L1 Q07817 3/20 0.45
MCL1 Q07820 3/20 0.45
PTPN1 P18031 1/20 0.44
NR4A2 P43354 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM5 P41594 5/20 0.41
NR1H4 Q96RI1 2/20 0.40
KAT6A Q92794 1/20 0.39
PTGER4 P35408 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
SCHEMBL8556035 0.95 MEN1 (0.45) ARBCL2L1MCL1NR4A2MEN1
SCHEMBL8557997 0.93 AR (0.51) ARBCL2L1MCL1PTPN1MEN1
SCHEMBL8560966 0.89 AR (0.48) ARBCL2L1MCL1PTPN1MEN1
SCHEMBL8553642 0.86 AR (0.46) ARBCL2L1MCL1PTPN1MEN1
SCHEMBL9026048 0.85 MEN1 (0.50) ARBCL2L1MCL1PTPN1NR4A2
SCHEMBL8553921 0.85 MEN1 (0.48) BCL2L1MCL1NR4A2MEN1KMT2A
SCHEMBL9026918 0.84 AR (0.45) ARMCL1PTPN1MEN1KMT2A
SCHEMBL8557266 0.83 AR (0.51) ARBCL2L1MCL1PTPN1MEN1
SCHEMBL8556744 0.82 GRM5 (0.44) ARPTPN1GRM5KAT6A
SCHEMBL8558890 0.81 CCR2 (0.41) KMT2A

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