SCHEMBL17014743

SCHEMBL17014743

CCOCCOc1c(F)cccc1-c1csc(N2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.60
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL17014772 0.90 AR (0.62) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL22291226 0.87 AR (0.73) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17014724 0.83 AR (0.76) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL19051370 0.81 AR (0.48) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL25649389 0.80 AR (0.74) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL19051371 0.80 AR (0.50) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL25942616 0.78 AR (0.71) ARNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL22263265 0.78 AR (0.70) ARNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL30219483 0.78 AR (0.70) ARNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL22263280 0.78 AR (0.70) ARNPC1RAB9ASMN1; SMN2MAPK1

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
WO-2015120543-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAIN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-08-20 — — WO disclosed
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