SCHEMBL6375580

SCHEMBL6375580

COc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
TDP1 Q9NUW8 7/20 0.53
ALDH1A1 P00352 6/20 0.50
MAPT P10636 7/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
G6PD P11413 1/20 0.45

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
SCHEMBL11555366 0.92 HTT (0.55) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL3480822 0.92 ALDH1A1 (0.58) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL6815710 0.90 HTT (0.58) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL4799531 0.90 HTT (0.58) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL8009996 0.90 HTT (0.58) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL6370055 0.87 ALDH1A1 (0.57) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL517401 0.87 HTT (0.50) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL29785411 0.87 HTT (0.50) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL5330357 0.87 HTT (0.50) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL6376231 0.86 HTT (0.58) HTTTDP1ALDH1A1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156047-B1 6-SUBSTITUTED-7- HETEROQUINOXALINE CARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2005-08-31 EP disclosed
US-6632813-B1 6-subtituted-7-heteroquinoxalinecarboxylic acid derivatives and addition salts thereof and processes for the preparation of both KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-10-14 US disclosed
EP-1156047-A1 6-SUBSTITUTED-7- HETEROQUINOXALINE CARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed
EP-0280156-B1 PROCESS FOR THE PREPARATION OF ACETOACETYLARYLAMIDES-HETEROARYLAMIDES RESPECTIVELY OF DEACTIVED AROMATIC COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0280156-A2 Process for the preparation of acetoacetylarylamides-heteroarylamides respectively of deactived aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP disclosed
US-4316861-A N-Nitroaryl-N-halosulfonyl ureas HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-23 US disclosed
US-4007221-A Manufacture of nuclear-iodinated iodine compounds of aromatic character BASF AKTIENGESELLSCHAFT (DT) 1977-02-08 US disclosed