SCHEMBL8596365

SCHEMBL8596365

O=C(O)CNC(=S)CC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
CYP3A4 P08684 4/20 0.57
HPGD P15428 3/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 1/20 0.57
CES1 P23141 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 10/20 0.51
ABAT P80404 1/20 0.51
ALOX12 P18054 1/20 0.51
PTPN1 P18031 2/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47

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
SCHEMBL6993582 0.93 KMT2A (0.50) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL11276739 0.86 NR4A2 (0.58) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL7701997 0.79 POLB (0.57) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL6994495 0.78 KMT2A (0.44) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL5931323 0.77 KMT2A (0.61) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL1271165 0.76 KMT2A (0.73) MEN1KMT2ACYP3A4HPGDMAPT
Phenylthioacetylglycine SCHEMBL11381408 0.76 AKR1B1 (0.54) MEN1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL9129270 0.76 KMT2A (0.59) MEN1KMT2ACYP3A4HPGDMAPT
SCHEMBL98540 0.75 KMT2A (0.80) MEN1KMT2ACYP3A4HPGDMAPT
Dibenzoylmethane SCHEMBL1704711 0.75 MEN1 (1.00) MEN1KMT2ACYP3A4HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710228-B1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARM INC (CA) 1998-01-21 EP disclosed
US-5659041-A MEDICAL DIAGNOSIS, THERAPY RESOLUTION PHARMACEUTICALS, INC. (CA) 1997-08-19 US disclosed
EP-0710228-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1996-05-08 EP disclosed
WO-1995003280-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N3S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1995-02-02 WO disclosed