SCHEMBL8634845

SCHEMBL8634845

C=CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(OC)c(F)c2)c1COCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 8/20 0.38
ERN1 O75460 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
PPARA Q07869 1/20 0.35
EDNRA P25101 1/20 0.35
HTR6 P50406 1/20 0.35
AR P10275 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL8632160 0.90 CCR4 (0.41) PI4KBERN1PTGS1PTGS2HTR6
SCHEMBL8631464 0.89 PI4KB (0.40) PI4KBERN1PTGS1PTGS2PPARA
SCHEMBL8628869 0.88 PTGS2 (0.38) PI4KBPTGS1PTGS2PPARAEDNRA
SCHEMBL8629870 0.87 NPC1 (0.39) PI4KBERN1PTGS1PTGS2PPARA
SCHEMBL8635028 0.86 PI4KB (0.40) PI4KBPTGS1PTGS2EDNRAHTR6
SCHEMBL8633054 0.85 SMN1; SMN2 (0.41) AR
SCHEMBL8627805 0.83 PI4KB (0.38) PI4KBPTGS1PTGS2EDNRAHTR6
SCHEMBL8631761 0.83 PTGS2 (0.44) PI4KBPTGS1PTGS2PPARAEDNRA
SCHEMBL8632683 0.83 MEN1 (0.40) PTGS1PTGS2EDNRAARHTT
SCHEMBL7779840 0.83 PTGS2 (0.47) PI4KBERN1PTGS1PTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed