SCHEMBL7693372

SCHEMBL7693372

COCCOc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.64
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
GAA P10253 3/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AKR1B1 P15121 2/20 0.52
NPC1 O15118 1/20 0.51
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL5047690 0.82 ALDH1A1 (0.50) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL28090595 0.81 PTGDR2 (0.52) AKR1C3MEN1KMT2AGAAMAPT
SCHEMBL9097438 0.81 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6940724 0.80 MEN1 (0.61) AKR1C3MEN1KMT2AGAAMAPT
SCHEMBL2297894 0.79 MEN1 (0.66) AKR1C3MEN1KMT2AMAPTHPGD
SCHEMBL9164075 0.78 MEN1 (0.60) AKR1C3MEN1KMT2AGAAMAPT
SCHEMBL9162780 0.77 MEN1 (0.58) AKR1C3MEN1KMT2AGAAMAPT
SCHEMBL6944295 0.77 MEN1 (0.58) AKR1C3MEN1KMT2AGAAMAPT
SCHEMBL7424074 0.77 HPGD (0.57) AKR1C3MEN1KMT2AGAAMAPT
SCHEMBL7059967 0.77 AKR1B1 (0.69) AKR1C3MEN1KMT2AGAAMAPT

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-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed