SCHEMBL11087676

SCHEMBL11087676

Cc1ccc(Nc2cnc3c(cnn3-c3ccccc3)n2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 5/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
DPP4 P27487 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPK10 P53779 1/20 0.40
SLC2A1 P11166 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL11091998 0.91 LMNA (0.49) MAPTRAB9ANPC1LMNATP53
SCHEMBL11091891 0.89 LMNA (0.55) MAPTRAB9ANPC1LMNATP53
SCHEMBL11084694 0.83 TP53 (0.51) MAPTRAB9ANPC1LMNATP53
SCHEMBL11095432 0.83 MAPT (0.50) MAPTRAB9ANPC1LMNATP53
SCHEMBL11081454 0.82 TP53 (0.53) MAPTRAB9ANPC1LMNATP53
SCHEMBL11093305 0.82 PDGFRB (0.46) MAPTRAB9ANPC1LMNATP53
SCHEMBL11090659 0.81 LMNA (0.45) MAPTRAB9ANPC1LMNATP53
SCHEMBL11094565 0.80 PDGFRB (0.50) MAPTRAB9ANPC1LMNATP53
SCHEMBL11090022 0.79 MAPT (0.47) MAPTRAB9ANPC1LMNATP53
SCHEMBL11090510 0.79 PDGFRB (0.55) MAPTRAB9ANPC1LMNATP53

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