SCHEMBL9459079

SCHEMBL9459079

C[C@H](O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6359410 1.00 ALDH1A1 (0.55) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL9459074 1.00 ALDH1A1 (0.55) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL3932099 0.88 ALDH1A1 (0.53) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL3137939 0.86 ALDH1A1 (0.51) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL2064880 0.85 ALDH1A1 (0.58) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL28123482 0.84 POLB (0.54) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL9820264 0.83 TDP1 (0.42) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL1665641 0.83 ALDH1A1 (0.56) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL1666014 0.83 ALDH1A1 (0.56) ALDH1A1TSHRPOLBCYP2C19MEN1
SCHEMBL11295444 0.82 POLB (0.35) ALDH1A1TSHRPOLBCYP2C19MEN1

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
US-5262333-A Fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1993-11-16 US disclosed
EP-0371253-A2 Method and reagents for detecting amphetamine and/or d-methamphetamine in biological samples ABBOTT LABORATORIES (US) 1990-06-06 EP disclosed