SCHEMBL9740244

SCHEMBL9740244

COc1cc(CNc2ccc3c[c][nH]c3c2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
GAA P10253 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
GFER P55789 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TUBB4A P04350 3/20 0.57
TUBB P07437 3/20 0.57
TUBA3C P0DPH7 3/20 0.57
TUBA1B P68363 3/20 0.57
TUBA4A P68366 3/20 0.57
TUBB4B P68371 3/20 0.57

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
SCHEMBL9740472 0.91 GAA (0.59) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL9740911 0.81 TUBB1 (0.57) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9738964 0.80 KMT2A (0.53) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL9741988 0.79 TUBB4A (0.52) GAAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9739684 0.76 MAPT (0.56) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL9739461 0.74 MAPT (0.58) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL9740451 0.74 INSR (0.34) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL9738939 0.74 GAK (0.43) GAAKDM4EALDH1A1MEN1TSHR
SCHEMBL2343438 0.74 MAPT (1.00) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL9187840 0.73 TUBB4A (1.00) MAPTGAAKDM4EALDH1A1HTT

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed