SCHEMBL6996891

SCHEMBL6996891

O=C(O)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
GAA P10253 1/20 0.60
POLB P06746 3/20 0.59
CRHBP P24387 2/20 0.59
CRHR2 Q13324 2/20 0.59
CES1 P23141 2/20 0.59
NPC1 O15118 1/20 0.57
MITF O75030 1/20 0.57
RAB9A P51151 1/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CES2 O00748 1/20 0.56
SRD5A2 P31213 1/20 0.56
NLRP3 Q96P20 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL27815181 0.90 MAPT (0.67) TDP1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11059936 0.87 GAA (0.72) TDP1MAPTL3MBTL1MEN1KMT2A
SCHEMBL11060783 0.85 MEN1 (0.73) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL11060793 0.83 KDM4E (0.68) TDP1MAPTL3MBTL1MEN1KMT2A
SCHEMBL9782282 0.83 MAPT (0.64) TDP1MAPTL3MBTL1MEN1KMT2A
SCHEMBL9592831 0.83 TSHR (0.63) TDP1MAPTL3MBTL1MEN1KMT2A
SCHEMBL223451 0.82 MAPT (0.63) TDP1MAPTL3MBTL1MEN1KMT2A
SCHEMBL28723007 0.82 MEN1 (0.82) TDP1MAPTL3MBTL1MEN1KMT2A
SCHEMBL29902979 0.82 RAB9A (0.57) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL11058028 0.81 FLT1 (0.68) TDP1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP claimed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US claimed
CN-111032655-B EGFR and/or HER2 inhibitors and methods of use 达纳-法伯癌症研究所股份有限公司 2022-09-02 CN disclosed
CN-112384517-A Heteroaryl compounds and uses thereof 新旭生技股份有限公司 2021-02-19 CN disclosed
CN-111032655-A EGFR and/or HER2 inhibitors and methods of use 达纳-法伯癌症研究所股份有限公司 2020-04-17 CN disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed