SCHEMBL7698043

SCHEMBL7698043

Nc1cc([N+](=O)[O-])nc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
TDP1 Q9NUW8 6/20 0.40
TSHR P16473 4/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX15 P16050 3/20 0.40
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 3/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NPBWR1 P48145 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 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
SCHEMBL8115324 0.80 TDP1 (0.41) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL3293139 0.77 CYP19A1 (0.52) ALDH1A1TDP1TSHRCYP3A4POLB
SCHEMBL17997368 0.73 ALDH1A1 (0.33) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL7696656 0.73 ALDH1A1 (0.35) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL7697285 0.73 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL7690047 0.73 ALDH1A1 (0.45) ALDH1A1TDP1TSHRCYP3A4POLB
SCHEMBL3293694 0.72 ALDH1A1 (0.35) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL28914408 0.70 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL3367639 0.70 ALDH1A1 (0.40) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL28362450 0.70 CASP6 (0.47) ALDH1A1TDP1TSHRALOX15MEN1

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-6337368-B1 WATER INSOLUBLE CARRIERS WITH P-NITROBENZOIC ACID, AROMATIC AMINES, AMIDES, SULFONAMIDES AND HYDRAZIDES KANEKA CORPORATION (JP) 2002-01-08 US disclosed
EP-1008383-A1 LIPOPROTEIN ADSORBENT AND LIPOPROTEIN ADSORBER MADE WITH THE USE OF THE SAME KANEKA CORPORATION (JP) 2000-06-14 EP disclosed