SCHEMBL11089283

SCHEMBL11089283

c1ccc(CNc2cnc3c(cnn3-c3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
HSD17B10 Q99714 5/20 0.54
TSHR P16473 2/20 0.54
MAPK10 P53779 1/20 0.54
ALDH1A1 P00352 7/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
LMNA P02545 5/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 5/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL11088612 0.91 LMNA (0.48) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL11092677 0.88 KDM4E (0.53) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL11130485 0.83 KDM4E (0.47) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL11131710 0.80 KDM4E (0.50) KDM4EHSD17B10TSHRALDH1A1RAB9A
SCHEMBL11090510 0.79 PDGFRB (0.55) KDM4EHSD17B10TSHRALDH1A1RAB9A
SCHEMBL11091891 0.75 LMNA (0.55) KDM4EHSD17B10TSHRMAPK10ALDH1A1
SCHEMBL4156930 0.75 PDGFRB (0.64) KDM4EHSD17B10ALDH1A1PDGFRBPDGFRA
SCHEMBL11090756 0.74 KDM4E (0.43) KDM4EHSD17B10TSHRALDH1A1RAB9A
SCHEMBL11093811 0.74 MAPT (0.56) KDM4EHSD17B10TSHRALDH1A1RAB9A
SCHEMBL11091553 0.74 MAPT (0.49) KDM4EHSD17B10RAB9ANPC1PDGFRB

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-4460773-A ANTITUMOR AGENTS, VIRICIDES LION CORPORATION (JP) 1984-07-17 US disclosed