SCHEMBL8034073

SCHEMBL8034073

Cc1cn(-c2ccc([N+](=O)[O-])cc2O)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.49
TLR1 Q15399 6/20 0.49
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1616767 0.86 ALDH1A1 (0.49) TLR2TLR1ALDH1A1TSHRMAPK1
SCHEMBL8475128 0.84 ALDH1A1 (0.50) TLR2TLR1GPR35ALDH1A1TSHR
SCHEMBL1617550 0.83 ALDH1A1 (0.47) TLR2TLR1ALDH1A1TSHRMAPT
SCHEMBL1616714 0.83 ALDH1A1 (0.47) TLR2TLR1ALDH1A1HPGDMAPK1
SCHEMBL2625708 0.83 TLR2 (0.47) TLR2TLR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL512865 0.81 PSEN1 (0.50) HTT
SCHEMBL10153120 0.81 ALDH1A1 (0.49) TLR2TLR1ALDH1A1TSHRMAPK1
SCHEMBL23292585 0.81 TLR2 (0.49) TLR2TLR1ALDH1A1TSHRTP53
SCHEMBL1038330 0.80 ALDH1A1 (0.54) TLR2TLR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16914219 0.80 TLR2 (0.44) TLR2TLR1ALDH1A1TSHRMAPK1

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
WO-2009108766-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE SCHERING CORPORATION (US) 2009-09-03 WO disclosed
WO-2009076337-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-18 WO disclosed