SCHEMBL7681992

SCHEMBL7681992

COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.66
ALDH1A1 P00352 3/20 0.61
LMNA P02545 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 4/20 0.61
HPGD P15428 2/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 1/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ROCK2 O75116 1/20 0.58
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL31546659 0.90 ALDH1A1 (0.58) SETD7ALDH1A1LMNATDP1MAPT
SCHEMBL9550653 0.85 SETD7 (0.53) SETD7ALDH1A1LMNATDP1MAPT
SCHEMBL12813280 0.85 MMP13 (0.74) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL2838830 0.83 MEN1 (0.61) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL5345965 0.82 MMP13 (0.79) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL582322 0.81 SMN1; SMN2 (0.85) ALDH1A1LMNASMN1; SMN2ROCK2L3MBTL1
SCHEMBL7485285 0.81 LMNA (0.63) SETD7ALDH1A1LMNAMAPTMEN1
SCHEMBL1083633 0.80 MEN1 (0.77) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL4156900 0.80 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL6940004 0.80 GABRP (0.56) ALDH1A1LMNAMAPTMEN1KMT2A

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