SCHEMBL27754137

SCHEMBL27754137

CC1=CC=C(c2ccccc2)C([N+](=O)[O-])C1=S

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7814265 0.73 ALDH1A1 (0.33) HPRT1ALDH1A1TDP1HSD17B10
SCHEMBL9086497 0.62 GAA (0.35) HPRT1ALDH1A1TDP1
Biphenyl SCHEMBL6919136 0.56 ALDH1A1 (0.53) HPRT1ALDH1A1TDP1HSD17B10
Biphenyl SCHEMBL27821216 0.56 CRHBP (0.56) HPRT1ALDH1A1TDP1
Biphenyl SCHEMBL27301305 0.55 TSHR (0.55) HPRT1ALDH1A1TDP1HSD17B10
SCHEMBL23074143 0.54 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10
SCHEMBL17480245 0.54 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10
Biphenyl SCHEMBL1158267 0.54 CRHBP (0.54) HPRT1ALDH1A1TDP1
Biphenyl SCHEMBL11147067 0.54 CRHBP (0.54) HPRT1ALDH1A1TDP1HSD17B10
Toluene SCHEMBL28473844 0.54 TSHR (0.61) HPRT1ALDH1A1TDP1HSD17B10

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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed