SCHEMBL7699333

SCHEMBL7699333

Cc1ccc(Nc2nc3cc4ccccc4cc3nc2Nc2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
NPY5R Q15761 1/20 0.51
MAPT P10636 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 3/20 0.50
HTT P42858 3/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
KDM1A O60341 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPK1 P28482 2/20 0.49
TNKS O95271 1/20 0.48

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
SCHEMBL6993532 0.86 ALDH1A1 (0.55) ALDH1A1KDM4ENPY5RMAPTMEN1
SCHEMBL7695446 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ENPY5RMAPTMEN1
SCHEMBL7696721 0.82 KMT2A (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7696773 0.82 NPSR1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7696783 0.81 NPY5R (0.51) ALDH1A1KDM4ENPY5RMAPTMEN1
SCHEMBL7691053 0.81 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7695814 0.81 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7692475 0.81 KDM1A (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7690529 0.79 TGFBR1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7695685 0.79 KDR (0.55) ALDH1A1NPY5RMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed