SCHEMBL6265121

SCHEMBL6265121

CC(=O)Nc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
POLB P06746 4/20 0.55
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 2/20 0.53
RECQL P46063 2/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 2/20 0.48
HTT P42858 1/20 0.48
DDX3X O00571 1/20 0.47
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
ALOX5 P09917 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL6265117 1.00 MAPT (0.55) MAPTKMT2AMEN1POLBALDH1A1
Acetic Acid SCHEMBL4122564 0.87 MAPT (0.47) MAPTKMT2AMEN1POLBALDH1A1
Acetic Acid SCHEMBL4122563 0.87 MAPT (0.47) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6266100 0.83 DCTPP1 (0.54) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6262619 0.83 ALOX5 (0.59) MAPTPOLBRAB9AALOX5
SCHEMBL6262617 0.83 ALOX5 (0.59) MAPTPOLBRAB9AALOX5
Acetic Acid SCHEMBL4123822 0.81 ALOX5 (0.44) MAPTKMT2AMEN1POLBALDH1A1
Acetic Acid SCHEMBL4123820 0.81 ALOX5 (0.44) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL2999979 0.81 MAPT (0.48) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL2999987 0.81 MAPT (0.48) MAPTKMT2AMEN1POLBALDH1A1

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
WO-2005082363-A1 THIAZOLONE COMPOUNDS FOR TREATMENT OF CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-09-09 WO claimed
WO-2005082363-A1 THIAZOLONE COMPOUNDS FOR TREATMENT OF CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-09-09 WO disclosed