SCHEMBL7362764

SCHEMBL7362764

COC(=O)C(=Cc1ccc(-n2cncn2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSP90AA1 P07900 1/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER1 P34995 1/20 0.37
POLB P06746 1/20 0.37
MIF P14174 1/20 0.36
F2 P00734 1/20 0.36
FBP1 P09467 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7362760 1.00 MAPT (0.53) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL13906649 0.82 CA12 (0.47) SMN1; SMN2HTTALDH1A1POLBMIF
SCHEMBL7359915 0.81 MAPT (0.51) MAPTSMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL27751058 0.79 ALDH1A1 (0.43) ALDH1A1L3MBTL1MIFNR1H4CA12
SCHEMBL27771852 0.79 ATM (0.49) MAPTHTTKDM4EALDH1A1CYP1A2
SCHEMBL27751009 0.79 MEN1 (0.51) MAPTKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3820411 0.77 LMNA (0.48) MAPTHTTALDH1A1CYP3A4MIF
SCHEMBL31753129 0.76 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1POLBMIF
SCHEMBL7493533 0.76 MAPT (0.42) MAPTSMN1; SMN2HSP90AA1HTTALDH1A1
SCHEMBL3596818 0.75 MIF (0.43) SMN1; SMN2POLBMIFNR1H4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997011960-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1997-04-03 WO disclosed