SCHEMBL8037820

SCHEMBL8037820

COc1ccc2oc(-c3ccccc3O)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
KDM4E B2RXH2 6/20 0.55
HPGD P15428 5/20 0.55
MAPK1 P28482 1/20 0.55
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
TOP2A P11388 1/20 0.53
HSD17B10 Q99714 5/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 5/20 0.50
TSHR P16473 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50

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
SCHEMBL17401198 0.84 MAPT (0.64) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13523024 0.83 KDM6B (0.68) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5844099 0.82 MAOA (0.52) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL196301 0.81 KDM4E (0.63) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1550678 0.81 KDM4E (0.63) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13866524 0.81 ESR1 (0.60) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13866517 0.80 TOP2A (0.62) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1549478 0.80 KDM4E (0.61) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28559369 0.80 SMN1; SMN2 (0.66) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2243598 0.80 MAPT (0.71) MAPTNPC1RAB9AALDH1A1SMN1; 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
US-6048631-A ALUMINUM COMPLEX; ELECTON TRANSFER, ORGANIC LUMINESCECE AND ELECTRON TRANSPORT LAYERS, THE LATER TWO STACKED BETWEEN A PAIR OF ELECTRODES; HEAT RESISTANCE, BLUISH LIGHT EMISSION, HIGH EFFICIENCY FUTABA DENSHI KOGYO K.K. (JP) 2000-04-11 US disclosed