SCHEMBL4761771

SCHEMBL4761771

CCCC(C)(C)c1cc([N+](=O)[O-])ccc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
CYP19A1 P11511 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MLNR O43193 1/20 0.47
MMP1 P03956 1/20 0.47
MPO P05164 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL4761767 0.90 TBXA2R (0.50) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL4761012 0.90 MAPT (0.49) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL4761006 0.80 MAPT (0.52) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL27675773 0.79 CYP1A2 (0.53) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL21295362 0.78 TBXA2R (0.47) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL14864858 0.77 MAPT (0.58) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL10424523 0.76 MAPT (0.56) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL21654259 0.76 ALDH1A1 (0.49) MEN1KMT2ALMNACYP1A2SMN1; SMN2
SCHEMBL5553432 0.75 MAPT (0.55) TBXA2RMAPTMEN1KMT2ALMNA
SCHEMBL1553699 0.74 MAPT (0.57) TBXA2RMAPTMEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO disclosed