SCHEMBL3845000

SCHEMBL3845000

[O]c1ccc([N+](=O)[O-])cc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
LMNA P02545 6/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
CYP19A1 P11511 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 2/20 0.58
MLNR O43193 1/20 0.58
MMP1 P03956 1/20 0.58
MPO P05164 1/20 0.58
CYP1A2 P05177 1/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
TBXA2R P21731 1/20 0.58
PTGS1 P23219 1/20 0.58

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
SCHEMBL10337156 0.83 HTT (0.60) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11315551 0.83 MEN1 (0.58) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4058420 0.82 MAPT (0.60) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11470258 0.82 MAPT (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL28844701 0.82 MAPT (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15391420 0.82 CYP19A1 (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11874519 0.82 MAPT (0.60) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL15967944 0.81 MAPT (0.55) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3811331 0.81 MEN1 (0.59) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL30222321 0.81 MEN1 (0.59) MAPTLMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2062593-A2 Method for producing preparation containing bioactive peptide Takeda Pharmaceutical Company Limited (JP) 2009-05-27 EP disclosed