SCHEMBL16794816

SCHEMBL16794816

Nc1c(C(=O)c2cccnc2)oc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.71
NPC1 O15118 11/20 0.71
KMT2A Q03164 3/20 0.71
RAB9A P51151 9/20 0.60
SMN1; SMN2 Q16637 8/20 0.60
AHR P35869 2/20 0.60
POLB P06746 1/20 0.60
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 2/20 0.56
CASP1 P29466 2/20 0.51
ADORA2A P29274 1/20 0.51
HCRTR1 O43613 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL16794821 0.84 MAPT (0.77) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL429754 0.84 MAPT (1.00) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL7843704 0.80 SMN1; SMN2 (0.74) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL14172644 0.79 NPC1 (0.44) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL13335658 0.79 NPC1 (0.56) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL14172704 0.79 NPC1 (0.44) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL1869991 0.75 NPC1 (1.00) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL30979841 0.75 MAPT (1.00) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL30979845 0.75 MAPT (1.00) MAPTNPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL9720114 0.75 MAPT (1.00) MAPTNPC1KMT2ARAB9ASMN1; SMN2

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-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed