SCHEMBL14548858

SCHEMBL14548858

O=Cc1ccc(CI)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.57
ABAT P80404 1/20 0.57
VCAM1 P19320 1/20 0.57
ALDH3A1 P30838 2/20 0.53
ALDH1A1 P00352 9/20 0.49
MAPT P10636 7/20 0.49
ALDH1A3 P47895 1/20 0.49
XDH P47989 1/20 0.45
LMNA P02545 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 3/20 0.41
TTR P02766 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SNCA P37840 1/20 0.37

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
SCHEMBL2924523 0.84 ALDH3A1 (0.62) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL8759780 0.83 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6355056 0.83 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL4575571 0.83 ALDH5A1 (0.62) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL27780985 0.81 ALDH5A1 (0.56) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6045765 0.80 ALDH5A1 (0.54) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL27675203 0.79 ALDH3A1 (0.57) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL13269178 0.79 ALDH5A1 (0.53) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL6355401 0.79 CYP1A2 (0.65) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1
SCHEMBL5981396 0.78 ALDH5A1 (0.55) ALDH5A1ABATVCAM1ALDH3A1ALDH1A1

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-8349831-B2 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. (US) 2013-01-08 US disclosed