SCHEMBL8551347

SCHEMBL8551347

CN(C)c1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
IL18 Q14116 1/20 0.44
CACNA1B Q00975 3/20 0.41
AR P10275 1/20 0.41
CACNA1G O43497 1/20 0.40
SCN9A Q15858 4/20 0.40
CHRM1 P11229 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
SCHEMBL31122257 0.89 SLC6A4 (0.40) SLC6A4PARP15PARP10PARP2KDM4E
SCHEMBL31958 0.87 SLC6A4 (0.49) SLC6A4PARP15PARP10PARP2KDM4E
SCHEMBL29582194 0.84 PARP15 (0.57) SLC6A4PARP15PARP10PARP2KDM4E
SCHEMBL8544256 0.79 ALDH1A1 (0.53) SLC6A4PARP15PARP10PARP2KDM4E
SCHEMBL8546604 0.79 AR (0.51) PARP15PARP10PARP2KDM4ELMNA
SCHEMBL7074510 0.78 APP (0.41) MEN1MAPTMAPK1RAB9AKMT2A
SCHEMBL8852392 0.78 PARP15 (0.63) SLC6A4PARP15PARP10PARP2KDM4E
SCHEMBL7041250 0.78 PARP15 (0.63) SLC6A4PARP15PARP10PARP2KDM4E
SCHEMBL31122286 0.77 CYP19A1 (0.38) SLC6A4KDM4ELMNACYP19A1SCN9A
SCHEMBL8549595 0.76 SCN9A (0.49) SLC6A4PARP15PARP10PARP2KDM4E

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