SCHEMBL6603403

SCHEMBL6603403

CCOC(=O)c1nc2cc(-c3nc(COC(=O)NCc4ccc(Br)cc4)c[nH]3)c([N+](=O)[O-])cc2nc1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GALR2 O43603 1/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
CCR6 P51684 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PRKD3 O94806 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 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
SCHEMBL6603788 0.90 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1POLBGALR2
SCHEMBL6601960 0.83 KMT2A (0.41) MAPTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL6602436 0.83 ALDH1A1 (0.41) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6603534 0.81 ALDH1A1 (0.36) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6604561 0.81 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6602557 0.81 KMT2A (0.38) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6603385 0.81 KMT2A (0.40) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6602204 0.81 ALDH1A1 (0.36) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6605470 0.81 ALDH1A1 (0.34) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6602462 0.79 GRIA1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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