SCHEMBL13700486

SCHEMBL13700486

O=C(Nc1ccccc1)c1ccc2nn(-c3cc(CCO)cc(C=Nc4ccccc4)c3O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
ALDH1A1 P00352 8/20 0.42
HPGD P15428 5/20 0.42
POLB P06746 5/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 9/20 0.38
MEN1 O00255 8/20 0.38
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 4/20 0.38
LMNA P02545 4/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
ESR1 P03372 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HTT P42858 3/20 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
SCHEMBL13699488 0.90 CA2 (0.38) MAPTALDH1A1HPGDPOLBRAB9A
SCHEMBL13700485 0.90 MAPT (0.38) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL13700483 0.88 MEN1 (0.39) MAPTALDH1A1HPGDPOLBRAB9A
SCHEMBL13700470 0.88 MAPT (0.46) MAPTALDH1A1HPGDPOLBRAB9A
SCHEMBL13700480 0.88 CA1 (0.43) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL13700475 0.86 KDM4E (0.40) MAPTALDH1A1HPGDPOLBRAB9A
SCHEMBL13700481 0.85 GAA (0.44) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL13700535 0.84 MAPT (0.42) MAPTALDH1A1HPGDPOLBRAB9A
SCHEMBL13699437 0.83 MAPT (0.46) MAPTALDH1A1HPGDPOLBRAB9A
SCHEMBL14137967 0.83 NPSR1 (0.38) MAPTALDH1A1HPGDPOLBRAB9A

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-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed