SCHEMBL8994310

SCHEMBL8994310

NC(=O)c1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 2/20 0.58
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 3/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 1/20 0.50
MAPT P10636 2/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 2/20 0.45
PARP1 P09874 1/20 0.45
DTYMK P23919 1/20 0.45
MITF O75030 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL29355161 0.85 DTYMK (0.62) TDP1TSHRALOX15HSD17B10MAPK1
SCHEMBL28138122 0.85 DTYMK (0.62) TDP1TSHRALOX15HSD17B10MAPK1
SCHEMBL268279 0.85 DTYMK (0.62) TDP1TSHRALOX15HSD17B10MAPK1
SCHEMBL9038572 0.85 ALOX15 (0.59) TDP1TSHRALOX15HSD17B10MAPK1
SCHEMBL29850856 0.85 ALOX15 (0.59) TDP1TSHRALOX15HSD17B10MAPK1
SCHEMBL10773732 0.84 TDP1 (0.56) TDP1TSHRALOX15HSD17B10MAPK1
Ammonia Solution, Strong SCHEMBL30783526 0.84 DTYMK (0.60) TDP1TSHRALOX15HSD17B10MAPK1
SCHEMBL1887530 0.84 TSHR (0.56) TDP1TSHRALOX15HSD17B10MAPK1
SCHEMBL45190 0.81 ALDH1A1 (0.62) TDP1TSHRALOX15MAPK1ALDH1A1
SCHEMBL6553684 0.81 PARP1 (0.62) TSHRL3MBTL1ALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998307-A Compound-ovarian cancer diagnostic markers, method for detecting enzymatic activity, method for diagnosing ovarian cancer, kit comprising said compound, use of said compound and method for treating ovarian cancer 尔特斯特公司 2025-05-13 CN disclosed
CN-115989413-A Novel diagnostic marker for prostate cancer 尔特斯特公司 2023-04-18 CN disclosed
US-5530105-A INK JET PRINTING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
EP-0645436-A1 Tetrakisazo compound and ink containing the compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-29 EP disclosed
EP-0162806-B1 AZO COMPOUNDS CONTAINING AT LEAST ONE CARBON AMIDE GROUP CIBA-GEIGY AG (CH) 1989-01-25 EP disclosed
US-4737581-A PIGMENTING HIGH-MOLECULAR-WEIGHT COMPOUNDS; PRINTING INKS; LACQUERS COLORFASTNESS; REDS AND ORANGES CIBA-GEIGY CORPORATION (US) 1988-04-12 US disclosed
EP-0228192-A2 Renin-inhibitory oligopeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-07-08 EP disclosed
EP-0162806-A2 Azo compounds containing at least one carbon amide group CIBA-GEIGY AG (CH) 1985-11-27 EP disclosed