SCHEMBL27040969

SCHEMBL27040969

Nc1ccccc1NC(=O)OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC2 Q92769 3/20 0.42
RORC P51449 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KAT2B Q92831 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOR2 Q9Y618 1/20 0.40
CTSD P07339 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL29790056 0.91 KMT2A (0.53) KMT2AMEN1MAPTMAPK1TP53
SCHEMBL1057098 0.81 POLB (0.51) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL15969764 0.81 ALDH1A1 (0.48) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL1057096 0.77 RAB9A (0.64) KMT2AMEN1MAPTMAPK1TP53
SCHEMBL29790015 0.77 KMT2A (0.53) KMT2AMEN1MAPTMAPK1TP53
SCHEMBL15969165 0.76 ALDH1A1 (0.44) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL14962143 0.76 ALDH1A1 (0.42) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL16924653 0.76 ALDH1A1 (0.42) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL6672269 0.76 RAB9A (0.61) KMT2AMEN1MAPTMAPK1TP53
SCHEMBL15970433 0.76 ALDH1A1 (0.50) KMT2AMEN1MAPTMAPK1ALDH1A1

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-20240030030-A1 METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE AND COMPOSITION JSR CORPORATION (JP) 2024-01-25 US disclosed