SCHEMBL10337291

SCHEMBL10337291

Nc1ccc([N+](=O)[O-])cc1Oc1cccc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HTT P42858 1/20 0.54
MAPT P10636 8/20 0.53
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP19A1 P11511 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MLNR O43193 1/20 0.53
MMP1 P03956 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
TBXA2R P21731 1/20 0.53

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 0.94 HTT (0.60) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL7706101 0.89 HTT (0.58) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL8663926 0.82 GAA (0.59) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL3506576 0.81 PDE7A (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4456862 0.81 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10939518 0.81 HTT (0.72) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL7632953 0.79 ALDH1A1 (0.77) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL27188054 0.79 ALDH1A1 (0.77) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL3845000 0.78 MAPT (0.58) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL11315551 0.78 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA

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
US-H754-H ARLOXY P-PHENYLENE DIAMINES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1990-03-06 US disclosed