SCHEMBL8916041

SCHEMBL8916041

O=COCCc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP1A2 P05177 1/20 0.37
ERN1 O75460 1/20 0.36
CYP3A4 P08684 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
SNCA P37840 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL702624 0.85 CYP1A2 (0.53) ALDH1A1TDP1CYP1A2ERN1GAA
SCHEMBL8916280 0.78 S100A4 (0.39) ALDH1A1TDP1CYP1A2ERN1SNCA
SCHEMBL28693816 0.77 ALDH1A1 (0.43) POLBALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL13012411 0.77 CYP19A1 (0.40) POLBHTR2AALDH1A1TDP1CYP3A4
SCHEMBL5544885 0.77 ALDH1A1 (0.54) POLBALDH1A1TDP1CYP1A2ERN1
SCHEMBL6665984 0.76 TSHR (0.53) POLBALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL19212051 0.76 ALDH1A1 (0.44) POLBALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL15054397 0.76 KDM4E (0.46) POLBALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL2236124 0.76 CYP1A2 (0.41) POLBALDH1A1TDP1CYP1A2ERN1
SCHEMBL88305 0.74 TSHR (0.55) POLBALDH1A1TSHRKCNH2

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-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 WO disclosed