SCHEMBL13770720

SCHEMBL13770720

Clc1cc2c(cc1Cl)Nc1cc3nc4ccccc4nc3cc1N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 8/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL13770335 0.88 NOX1 (0.43) NQO2MAPTMEN1NPC1POLB
SCHEMBL13770447 0.85 NOX1 (0.60) NQO2MAPTMEN1NPC1POLB
SCHEMBL31315040 0.85 NOX1 (0.60) NQO2MAPTMEN1NPC1POLB
SCHEMBL13770622 0.82 CHEK1 (0.51) NQO2MAPTMEN1NPC1POLB
SCHEMBL8686412 0.82 NQO2 (0.62) NQO2MAPTMEN1NPC1POLB
SCHEMBL13770441 0.79 CHEK1 (0.47) NQO2MAPTMEN1KMT2AUSP2
SCHEMBL17049807 0.78 NOX1 (0.47) NQO2MAPTMEN1NPC1POLB
SCHEMBL4612924 0.71 MAPT (0.79) NQO2MAPTMEN1NPC1POLB
SCHEMBL13156546 0.71 MAPT (0.79) NQO2MAPTMEN1NPC1POLB
SCHEMBL29614768 0.71 MAPT (0.79) NQO2MAPTMEN1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078720-A1 Novel method for the preparation of derivatives of dihydrotetraazapentacenes, products such as obtained and uses thereof Université de la Méditerranée - Aix-Marseille II (FR) 2009-07-15 EP disclosed
WO-2009083532-A2 NOVEL METHOD FOR THE PREPARATION OF DERIVATIVES OF DIHYDROTETRAAZAPENTACENES, PRODUCTS SUCH AS OBTAINED, AND USES THEREOF UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2009-07-09 WO disclosed