SCHEMBL8890580

SCHEMBL8890580

C[S+]([O-])c1ccc(C(=O)c2cnoc2C2CC2)c(Cc2ccccc2Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
P2RX7 Q99572 2/20 0.33
NR1H4 Q96RI1 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
RUVBL1 Q9Y265 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
NAMPT P43490 1/20 0.31
PDE2A O00408 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
GPR52 Q9Y2T5 1/20 0.30
PLAT P00750 1/20 0.30

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
SCHEMBL8889996 0.90 SLC6A2 (0.32) NR1H4NAMPTPDE2A
SCHEMBL8892076 0.89 KDM4E (0.34) P2RX7NPC1LMNARAB9APOLB
SCHEMBL8890374 0.88 CCR5 (0.36) HSP90AA1NAMPTPDE2A
SCHEMBL8891972 0.87 HCRTR2 (0.35) NAMPT
SCHEMBL8898866 0.87 SLC6A2 (0.35)
SCHEMBL8893425 0.86 KDM4E (0.33) HSP90AA1NPC1LMNARAB9ANAMPT
SCHEMBL8894099 0.85 PTGS2 (0.40) P2RX7NR1H4NPC1LMNAPOLB
SCHEMBL8890001 0.85 KDM4E (0.36) NPC1LMNARAB9ASMN1; SMN2PDE3B
SCHEMBL8488431 0.85 DHODH (0.34) NAMPTPDE2A
SCHEMBL8489456 0.85 DHODH (0.34) LMNASMN1; SMN2NAMPTPDE2A

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed