SCHEMBL28114517

SCHEMBL28114517

Cc1cc(NO)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 3/20 0.57
TSHR P16473 2/20 0.54
NPC1 O15118 3/20 0.51
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.43
PPIA P62937 1/20 0.43

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
SCHEMBL2819135 0.85 KMT2A (0.60) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL9136568 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL11144552 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL1828950 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL3164500 0.81 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL28760524 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL28792430 0.80 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL6358511 0.79 MAPT (0.56) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL21262429 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL9847377 0.79 MAPT (0.57) ALDH1A1MEN1KMT2ARAB9AMAPT

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
CN-104099353-B Regioselective bacterial nitroreductase gene, recombinase thereof and application thereof 大连理工大学 2017-01-11 CN disclosed