SCHEMBL8312097

SCHEMBL8312097

CNC(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.62
ALOX15 P16050 1/20 0.53
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
KCNH2 Q12809 1/20 0.49
PYGL P06737 1/20 0.49
PLK1 P53350 2/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
IDH1 O75874 1/20 0.47
CHEK2 O96017 1/20 0.47
HDAC2 Q92769 1/20 0.47
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL761366 0.81 PLAU (0.66) PLAUPLK1HDAC8HDAC6HDAC2
SCHEMBL6640227 0.81 PLAU (0.66) PLAUPLK1HPGDTSHRHTT
SCHEMBL3033752 0.81 HDAC6 (0.73) PLAUPLK1HPGDTSHRHTT
SCHEMBL30369626 0.81 PLAU (0.66) PLAUPLK1HDAC8HDAC6HDAC2
SCHEMBL79445 0.80 HDAC2 (0.64) ALOX15PLK1HPGDTSHRHTT
SCHEMBL3028425 0.79 PLAU (0.74) PLAUPLK1HPGDTSHRHTT
SCHEMBL16302072 0.79 PLAU (0.64) PLAUPLK1HPGDTSHRHTT
SCHEMBL16811740 0.79 PLAU (0.64) PLAUPLK1HPGDTSHRHTT
SCHEMBL11662765 0.79 CYP2A6 (0.55) HPGDHTTSMN1; SMN2NPC1KMT2A
Bromide SCHEMBL4749650 0.78 PLAU (0.57) PLAUALOX15PLK1HPGDTSHR

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-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed