SCHEMBL17484174

SCHEMBL17484174

CC(c1ccccc1Oc1ccccc1[N+](=O)[O-])(c1ccccc1Oc1ccccc1[N+](=O)[O-])c1ccccc1Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
HPGD P15428 2/20 0.58
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ESR2 Q92731 1/20 0.48
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.44
HSPB1 P04792 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL1135850 0.90 L3MBTL1 (0.63) L3MBTL1HPGDALDH1A1TDP1HTT
SCHEMBL39472 0.84 HPGD (0.78) L3MBTL1HPGDALDH1A1TDP1HTT
SCHEMBL1341293 0.83 HPGD (0.58) L3MBTL1HPGDALDH1A1TDP1HTT
SCHEMBL28056476 0.82 L3MBTL1 (0.81) L3MBTL1HPGDALDH1A1TDP1HTT
SCHEMBL27828029 0.81 L3MBTL1 (0.56) L3MBTL1HPGDALDH1A1TDP1HTT
SCHEMBL27886328 0.79 L3MBTL1 (0.54) L3MBTL1HPGDALDH1A1TDP1HTT
SCHEMBL20339398 0.78 HSPB1 (0.51) HPGDALDH1A1HTTNPC1RAB9A
SCHEMBL29527846 0.78 HSPB1 (0.51) HPGDALDH1A1HTTNPC1RAB9A
Propene SCHEMBL11211679 0.77 L3MBTL1 (0.69) L3MBTL1HPGDALDH1A1TDP1HTT
SCHEMBL1340625 0.77 L3MBTL1 (1.00) L3MBTL1HPGDALDH1A1TDP1HTT

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
US-9255065-B1 Multi(azobenzene-amine) photoactive crosslinkers and methods of making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2016-02-09 US claimed
US-9255065-B1 Multi(azobenzene-amine) photoactive crosslinkers and methods of making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2016-02-09 US disclosed