SCHEMBL441437

SCHEMBL441437

COc1ccc(Cl)c2c(N)cc(C)nc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
NR4A2 P43354 2/20 0.46
HSP90AA1 P07900 4/20 0.43
NPC1 O15118 3/20 0.41
HSP90AB1 P08238 2/20 0.41
RAB9A P51151 2/20 0.41
CRHR1 P34998 1/20 0.40
ILK Q13418 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
PDPK1 O15530 1/20 0.39
NQO2 P16083 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DYRK1A Q13627 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL438207 0.88 MAPT (0.53) MAPTNR4A2HSP90AA1NPC1HSP90AB1
SCHEMBL439448 0.83 NR4A2 (0.59) MAPTNR4A2HSP90AA1HSP90AB1CRHR1
SCHEMBL437233 0.80 NR4A2 (0.51) MAPTNR4A2HSP90AA1HSP90AB1RAB9A
SCHEMBL6087451 0.78 MAPT (0.44) MAPTNR4A2HSP90AA1NPC1HSP90AB1
SCHEMBL2871982 0.75 MAPT (0.57) MAPTNR4A2HSP90AA1NPC1HSP90AB1
SCHEMBL18535210 0.71 MAPT (0.83) MAPTNPC1RAB9AALDH1A1NQO2
SCHEMBL437287 0.71 NR4A2 (0.61) MAPTNR4A2HSP90AA1NPC1RAB9A
SCHEMBL17502192 0.71 MAPT (0.60) MAPTNR4A2HSP90AA1NPC1RAB9A
SCHEMBL11637772 0.70 KDM4E (0.50) MAPTNR4A2RAB9ACRHR1ALDH1A1
SCHEMBL29091655 0.70 ALDH1A1 (0.43) MAPTNPC1RAB9AILKALDH1A1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed