SCHEMBL7004393

SCHEMBL7004393

COc1ccc([N+](=O)[O-])cc1OCCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.51
CYP19A1 P11511 6/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL30721937 0.88 MAPT (0.67) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL2063456 0.88 MAPT (0.67) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL5704650 0.86 CYP19A1 (0.63) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL25289864 0.85 MAPT (0.58) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL1157681 0.85 CYP19A1 (0.62) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL20258209 0.84 MAPT (0.61) MAPTSMN1; SMN2HPGDNPC1CYP1A2
Bicarbonate SCHEMBL5500204 0.84 CYP19A1 (0.63) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL15814707 0.84 MAPT (0.62) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL29178944 0.84 MEN1 (0.52) MAPTMEN1KMT2ACYP19A1CYP11B1
SCHEMBL5929724 0.83 MAPT (0.67) MAPTSMN1; SMN2HPGDNPC1CYP1A2

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-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed