SCHEMBL9762166

SCHEMBL9762166

CCOc1nsc(N2CCOCC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.40
MGMT P16455 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
THRB P10828 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9762513 0.80 MAPT (0.43) MAPTKMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL9760872 0.72 SMN1; SMN2 (0.46) MAPTKMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL11832860 0.71 MGMT (0.50) MAPTKMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL9760998 0.70 MAPT (0.36) MAPTKMT2ASMN1; SMN2MEN1MGMT
SCHEMBL9770553 0.69 LMNA (0.51) MAPTKMT2AKDM4EMEN1MAPK1
SCHEMBL14910845 0.68 LMNA (0.51) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL9760901 0.68 MAPT (0.33) MAPTSMN1; SMN2POLB
SCHEMBL9761650 0.68 L3MBTL1 (0.40) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9762505 0.67 KMT2A (0.44) MAPTKMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL13953865 0.66 KMT2A (0.69) MAPTKMT2AKDM4EMEN1MAPK1

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
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed