SCHEMBL4006539

SCHEMBL4006539

O=CCc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
GPR35 Q9HC97 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 2/20 0.51
THRB P10828 1/20 0.51
CTSB P07858 1/20 0.51
APP P05067 1/20 0.48
NOX4 Q9NPH5 1/20 0.47
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX12 P18054 1/20 0.43
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL4980531 0.85 POLB (0.61) ERN1GPR35ALDH1A1TP53HPGD
SCHEMBL7803748 0.83 ERN1 (0.54) ERN1GPR35ALDH1A1TP53HPGD
SCHEMBL16975394 0.83 ALDH1A1 (0.56) ERN1ALDH1A1TSHRPOLBL3MBTL1
SCHEMBL786831 0.82 ALDH1A1 (0.56) ERN1GPR35ALDH1A1TP53HPGD
SCHEMBL15283303 0.82 ALDH1A1 (0.56) ERN1GPR35ALDH1A1TP53HPGD
SCHEMBL51277 0.82 GPR35 (0.60) ERN1GPR35ALDH1A1TP53HPGD
SCHEMBL7755626 0.81 TDP1 (0.52) ERN1ALDH1A1TSHRGAATHRB
SCHEMBL11509750 0.81 APP (0.56) ERN1GPR35ALDH1A1TP53HPGD
SCHEMBL4231830 0.80 ALDH1A1 (0.58) ERN1GPR35ALDH1A1TP53HPGD
SCHEMBL216753 0.80 GPR35 (0.58) ERN1GPR35ALDH1A1TP53HPGD

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
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed