SCHEMBL6608324

SCHEMBL6608324

Nc1cc(C(F)(F)F)c(-n2ccnc2CO)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.37
ENPP2 Q13822 2/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SERPINE1 P05121 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MPI P34949 1/20 0.32
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CASP6 P55212 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31

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
SCHEMBL6602089 0.84 F2 (0.33)
SCHEMBL6606294 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EHTTMAPTMEN1
SCHEMBL8911834 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6608321 0.76 TLR2 (0.36) ALDH1A1KDM4EENPP2MAPTMEN1
SCHEMBL8129450 0.72 GRIA1 (0.47) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL6604122 0.69 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8903008 0.69 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8143837 0.68 NR2E1 (0.42) ALDH1A1KDM4EMAPTTDP1MPI
SCHEMBL9807537 0.68 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL462851 0.66 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161344-C 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof and process for preparation of both ������ҩ��ʽ���� 2004-08-11 CN disclosed
EP-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
CN-1269794-A 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof and process for preparation of both KYORIN SEIYAKU KK (JP) 2000-10-11 CN disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed