SCHEMBL28113233

SCHEMBL28113233

O=c1[nH]c(-c2ccccc2)nc2cccc(Br)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.61
TNKS2 Q9H2K2 8/20 0.61
PARP1 P09874 5/20 0.61
CYP1A1 P04798 1/20 0.57
CYP1B1 Q16678 1/20 0.57
GUSB P08236 3/20 0.54
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
PARP2 Q9UGN5 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PBRM1 Q86U86 1/20 0.50
KDM4C Q9H3R0 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 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
SCHEMBL28112631 0.81 TNKS (0.67) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL28559818 0.81 PBRM1 (0.72) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL5939 0.77 NPC1 (0.55) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL258433 0.76 TNKS (1.00) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL29592833 0.76 TNKS (1.00) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL14080068 0.76 TYMS (0.70)
Hydrochloric Acid SCHEMBL31529601 0.75 TNKS (0.96) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL6124189 0.73 TNKS (0.93) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL29784068 0.73 TNKS (1.00) TNKSTNKS2PARP1CYP1A1CYP1B1
SCHEMBL5795292 0.73 TNKS (1.00) TNKSTNKS2PARP1CYP1A1CYP1B1

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
CN-106518789-B A method of synthesis Quinazol derivative 南京理工大学 2019-04-16 CN disclosed
CN-106518789-A Method for synthesis of quinazolinone derivative 南京理工大学 2017-03-22 CN disclosed
CN-106478525-A A kind of method of synthesis quinazolone 南京理工大学 2017-03-08 CN disclosed