SCHEMBL6958597

SCHEMBL6958597

O=C(O)Oc1ccc2ncccc2c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NCEH1 Q6PIU2 1/20 0.44
MAPT P10636 6/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.39
ALOX12 P18054 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
JMJD7 P0C870 1/20 0.38
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CTSB P07858 2/20 0.38
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL1337810 0.82 MEN1 (0.65) NCOA1NCOA3POLBCYP1A2TSHR
SCHEMBL6958591 0.80 POLB (0.51) NCOA1NCOA3POLBCYP1A2TSHR
SCHEMBL10965704 0.78 MEN1 (0.54) POLBMEN1KMT2ANCEH1MAPT
SCHEMBL3037149 0.76 POLB (0.54) NCOA1NCOA3POLBCYP1A2TSHR
SCHEMBL2488931 0.75 KDM4E (0.44) NCOA1POLBMEN1KMT2AMAPT
SCHEMBL6974167 0.75 JMJD7 (0.63) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL2308927 0.74 FABP5 (0.53) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL16915055 0.74 KDM4E (0.50) NCOA1NCOA3POLBCYP1A2TSHR
SCHEMBL12130370 0.74 CYP1A2 (0.54) NCOA1NCOA3POLBCYP1A2TSHR
SCHEMBL2005385 0.73 ATM (0.46) CYP1A2TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015107133-A1 QUINOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2015-07-23 WO disclosed
EP-0931070-B1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2003-03-19 EP disclosed
EP-0931070-A1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
EP-0929546-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998012180-A1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
WO-1998012192-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed