SCHEMBL6603788

SCHEMBL6603788

CCOC(=O)c1nc2cc(-c3nc(COC(=O)Nc4ccc(Br)cc4)c[nH]3)c([N+](=O)[O-])cc2nc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
CXCR4 P61073 1/20 0.35
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL6602436 0.93 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTGRIA1
SCHEMBL6603403 0.90 MAPT (0.32) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6601960 0.87 KMT2A (0.41) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL6602557 0.85 KMT2A (0.38) ALDH1A1MEN1KMT2AMAPTGRIA1
SCHEMBL6603385 0.85 KMT2A (0.40) ALDH1A1MEN1KMT2AMAPTGRIA1
SCHEMBL6603534 0.82 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL6604561 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6602204 0.82 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6382753 0.82 NAMPT (0.43) MEN1KMT2AMAPTSMN1; SMN2MITF
SCHEMBL6631139 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTGRIA1

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