SCHEMBL438207

SCHEMBL438207

COc1ccc(Cl)c2nc(C)cc(N)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
NR4A2 P43354 2/20 0.50
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 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
PDPK1 O15530 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ILK Q13418 1/20 0.37
DYRK1A Q13627 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36

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
SCHEMBL441437 0.88 MAPT (0.57) MAPTNR4A2HSP90AA1NPC1HSP90AB1
SCHEMBL439448 0.83 NR4A2 (0.59) MAPTNR4A2HSP90AA1HSP90AB1CRHR1
SCHEMBL441438 0.79 MAPT (0.43) MAPTHSP90AA1NPC1HSP90AB1GAA
SCHEMBL17502192 0.74 MAPT (0.60) MAPTNR4A2HSP90AA1NPC1RAB9A
SCHEMBL437233 0.73 NR4A2 (0.51) MAPTNR4A2HSP90AA1HSP90AB1RAB9A
SCHEMBL11543194 0.73 NR4A2 (0.51) MAPTNR4A2RAB9ACRHR1GAA
SCHEMBL439805 0.73 NR4A2 (0.47) MAPTNR4A2HSP90AA1NPC1HSP90AB1
SCHEMBL10251084 0.71 DCPS (0.57) MAPTHSP90AA1NPC1RAB9AALDH1A1
SCHEMBL4176630 0.70 PDE4A (0.47) MAPTNR4A2NPC1RAB9ACRHR1
Hydrochloric Acid SCHEMBL16716886 0.69 PDE4A (0.46) MAPTNR4A2NPC1RAB9ACRHR1

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