SCHEMBL28055935

SCHEMBL28055935

CN(c1ccccc1[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 7/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CTSD P07339 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL1509290 0.83 HSD17B10 (0.54) HSD17B10TDP1ALDH1A1POLBTSHR
SCHEMBL28056012 0.83 TSHR (0.55) HSD17B10TDP1ALDH1A1POLBTSHR
Ammonia Solution, Strong SCHEMBL28268609 0.82 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1POLBTSHR
SCHEMBL27651310 0.82 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1POLBTSHR
Phosphine SCHEMBL28283987 0.82 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1POLBTSHR
SCHEMBL31195404 0.80 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1POLBTSHR
SCHEMBL11791524 0.80 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1POLBTSHR
SCHEMBL626777 0.80 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1POLBTSHR
SCHEMBL29669355 0.80 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1POLBTSHR
SCHEMBL304541 0.79 HSD17B10 (0.48) HSD17B10TDP1ALDH1A1POLBTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574094-B Indolone derivatives and pharmaceutical use thereof 成都大学 2022-07-01 CN disclosed
CN-112574094-A Indolone derivatives and pharmaceutical use thereof 成都大学 2021-03-30 CN disclosed
CN-105392557-A Adsorbent and analysis system using same HITACHI HIGH TECH CORP 2016-03-09 CN disclosed