SCHEMBL8550856

SCHEMBL8550856

NC(O)c1ccc(Oc2ccc(Br)c(Oc3ccc(C(N)O)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CHEK2 O96017 1/20 0.33
MAPT P10636 2/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
SRD5A2 P31213 1/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NLRP1 Q9C000 1/20 0.32
NOD2 Q9HC29 1/20 0.32
FURIN P09958 2/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL8546074 0.80 F2 (0.41) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7190095 0.77 MAPT (0.57) MAPTMEN1MITFALDH1A1GAA
SCHEMBL16890039 0.74 LTA4H (0.50) MAPTTHRATHRBMEN1MITF
SCHEMBL8547421 0.74 F10 (0.47) MAPTTHRBMEN1ALDH1A1KMT2A
SCHEMBL8547791 0.70 CARM1 (0.43) MAPTSRD5A2MEN1MITFALDH1A1
SCHEMBL8544288 0.70 ST14 (0.40) MAPTSRD5A2MEN1MITFALDH1A1
SCHEMBL8545695 0.70 SMN1; SMN2 (0.44) MEN1ALDH1A1KMT2ASMN1; SMN2ST14
SCHEMBL8549345 0.69 PARP10 (0.46) MAPTALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL8545963 0.69 PARP15 (0.45) MAPTMEN1KMT2ASMN1; SMN2FFAR1
SCHEMBL8550863 0.69 THRB (0.37) MAPTTHRATHRBMEN1ALDH1A1

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