SCHEMBL8544623

SCHEMBL8544623

N#Cc1ccc(Oc2cccc(Oc3ccc(C#N)cc3F)c2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.54
CYP19A1 P11511 1/20 0.47
EPAS1 Q99814 6/20 0.45
VEGFA P15692 2/20 0.44
ERBB2 P04626 1/20 0.44
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ICMT O60725 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TBXA2R P21731 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL29581919 0.91 AR (0.46) AREPAS1VEGFAERBB2SLC22A12
SCHEMBL923176 0.90 ERBB2 (0.53) ARCYP19A1EPAS1ERBB2HTR2A
SCHEMBL875648 0.87 AR (0.47) ARCYP19A1EPAS1VEGFA
SCHEMBL26609303 0.81 AR (0.45) ARCYP19A1ERBB2SLC22A12HTR2A
SCHEMBL922800 0.81 EPAS1 (0.47) ARCYP19A1EPAS1VEGFAERBB2
SCHEMBL8546460 0.80 MAPT (0.42) ARCYP19A1EPAS1VEGFAALDH1A1
SCHEMBL8616842 0.80 AR (0.48) ARERBB2CYP11B1CYP11B2TBXA2R
SCHEMBL28671160 0.80 AR (0.48) ARERBB2ALDH1A1SMN1; SMN2SLC22A12
SCHEMBL29851244 0.80 AR (0.48) ARERBB2CYP11B1CYP11B2TBXA2R
SCHEMBL29255047 0.80 AR (0.48) ARCYP19A1ALDH1A1SMN1; SMN2SLC22A12

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