SCHEMBL8549595

SCHEMBL8549595

CN(c1ccc(C#N)cc1)c1cccc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.49
CYP19A1 P11511 1/20 0.45
KDM4C Q9H3R0 2/20 0.45
SLC6A4 P31645 1/20 0.43
NR3C1 P04150 3/20 0.42
PGR P06401 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
AR P10275 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL12700611 0.84 PGR (0.47) KDM4CPGRMTNR1AMTNR1BHSD17B1
SCHEMBL12700494 0.80 MAOB (0.48) KDM4CPGRMTNR1AMTNR1BHSD17B1
SCHEMBL10927383 0.80 CYP19A1 (0.59) SCN9ACYP19A1SLC6A4PGRAR
SCHEMBL17602299 0.77 KDM4C (0.48) KDM4CMTNR1AMTNR1BMEN1MAPT
SCHEMBL31958 0.77 SLC6A4 (0.49) CYP19A1KDM4CSLC6A4NR3C1PGR
SCHEMBL149439 0.76 TSHR (0.54) SCN9ASLC6A4ABCG2MEN1LMNA
SCHEMBL8550513 0.76 CYP2A6 (0.52) KDM4CABCG2KDM4ELMNA
SCHEMBL8546962 0.76 CYP2A6 (0.44) KDM4CPGRMTNR1AMTNR1BPARP10
SCHEMBL921433 0.76 AR (0.63) CYP19A1ARPARP15PARP10PARP2
SCHEMBL8551347 0.76 SLC6A4 (0.45) SCN9ACYP19A1SLC6A4NR3C1PGR

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
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed