SCHEMBL4761012

SCHEMBL4761012

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
TBXA2R P21731 4/20 0.49
LMNA P02545 4/20 0.49
CYP19A1 P11511 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MLNR O43193 1/20 0.49
MMP1 P03956 1/20 0.49
MPO P05164 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL4761771 0.90 TBXA2R (0.47) MAPTKMT2AMEN1TBXA2RLMNA
SCHEMBL4761006 0.90 MAPT (0.52) MAPTKMT2AMEN1TBXA2RLMNA
SCHEMBL27675773 0.81 CYP1A2 (0.53) MAPTKMT2AMEN1TBXA2RLMNA
SCHEMBL4761767 0.80 TBXA2R (0.50) MAPTKMT2AMEN1TBXA2RLMNA
SCHEMBL21295362 0.80 TBXA2R (0.47) MAPTKMT2AMEN1TBXA2RLMNA
SCHEMBL14864858 0.79 MAPT (0.58) MAPTKMT2AMEN1TBXA2RLMNA
SCHEMBL10424523 0.78 MAPT (0.56) MAPTKMT2AMEN1TBXA2RLMNA
SCHEMBL10118130 0.77 MAPK1 (0.52) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5553432 0.77 MAPT (0.55) MAPTKMT2AMEN1TBXA2RLMNA
SCHEMBL1553699 0.76 MAPT (0.57) MAPTKMT2AMEN1TBXA2RLMNA

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