SCHEMBL11598974

SCHEMBL11598974

O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ POLB P06746 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PTGS2 P35354 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ FBP1 P09467 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CRHBP P24387 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CRHR2 Q13324 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ AR P10275 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41

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
SCHEMBL9664713 0.81 POLB (0.53) ALDH1A1TDP1POLBMAPK1PTGS2
SCHEMBL9666436 0.80 ALDH1A1 (0.65) ALDH1A1POLBMAPK1LMNARAB9A
SCHEMBL28099167 0.78 ALDH1A1 (0.56) ALDH1A1TDP1POLBPTGS2RAB9A
SCHEMBL9444834 0.78 TDP1 (0.71) ALDH1A1TDP1POLBLMNAFBP1
SCHEMBL29575337 0.78 TDP1 (0.71) ALDH1A1TDP1POLBLMNAFBP1
SCHEMBL16140281 0.77 ALDH1A1 (0.65) ALDH1A1TDP1POLBMAPK1LMNA
SCHEMBL25187033 0.76 MAPK1 (0.74) ALDH1A1TDP1POLBMAPK1LMNA
SCHEMBL167524 0.76 MAPK1 (0.74) ALDH1A1TDP1POLBMAPK1LMNA
SCHEMBL10904251 0.76 ALDH1A1 (0.63) ALDH1A1TDP1POLBMAPK1PTGS2
SCHEMBL2137404 0.76 ALDH1A1 (0.63) ALDH1A1TDP1POLBMAPK1PTGS2

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-4079082-A Lasing dyes derived from ter-and quaterphenyl THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-03-14 — — US disclosed
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