SCHEMBL15527792

SCHEMBL15527792

O=COCCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 5/20 0.51
POLB P06746 1/20 0.51
IDO1 P14902 3/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
ACHE P22303 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL8746687 0.82 ALDH1A1 (0.64) MAPTALDH1A1POLBIDO1MAPK1
SCHEMBL9570633 0.77 MAPT (0.58) MAPTALDH1A1POLBIDO1MAPK1
SCHEMBL7297643 0.77 MAPT (0.58) MAPTALDH1A1POLBIDO1MAPK1
SCHEMBL11453242 0.77 MAPT (0.51) MAPTALDH1A1POLBIDO1MAPK1
SCHEMBL88305 0.76 TSHR (0.55) ALDH1A1POLBIDO1LOXL2
SCHEMBL8811170 0.75 MAPT (0.58) MAPTALDH1A1POLBIDO1MAPK1
SCHEMBL9395356 0.75 MAPT (0.57) MAPTALDH1A1POLBIDO1MAPK1
SCHEMBL6513576 0.75 ALDH1A1 (0.49) MAPTALDH1A1MAPK1TDP1KDM4E
SCHEMBL5280249 0.75 MAPT (0.57) MAPTALDH1A1POLBIDO1MAPK1
SCHEMBL2769872 0.75 MAPT (0.57) MAPTALDH1A1POLBIDO1MAPK1

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
WO-2013166466-A1 HOT-START DIGITAL PCR BIO-RAD LABORATORIES, INC. (US) 2013-11-07 WO disclosed