SCHEMBL4789008

SCHEMBL4789008

COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.82
NPC1 O15118 5/20 0.82
TP53 P04637 1/20 0.78
ALOX15 P16050 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
POLB P06746 2/20 0.77
CTDSP1 Q9GZU7 2/20 0.77
KMT2A Q03164 2/20 0.77
ADORA3 P0DMS8 1/20 0.76
TRPV1 Q8NER1 1/20 0.72
PTPN1 P18031 4/20 0.70
PLAU P00749 1/20 0.69
KCNK9 Q9NPC2 1/20 0.68
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
DEGS1 O15121 1/20 0.67
MEN1 O00255 1/20 0.67
CYP3A4 P08684 1/20 0.67
GSK3B P49841 1/20 0.65

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
SCHEMBL30341896 0.94 RAB9A (0.89) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL2919439 0.90 RAB9A (0.87) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL4963650 0.90 RAB9A (1.00) RAB9ANPC1TP53ALOX15SMN1; SMN2
Iodide SCHEMBL30758596 0.89 RAB9A (0.97) RAB9ANPC1TP53ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL29693066 0.89 RAB9A (0.97) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL6799157 0.88 RAB9A (1.00) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL19500980 0.88 RAB9A (0.82) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL12010917 0.88 RAB9A (0.82) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL5340339 0.88 RAB9A (0.88) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL11548282 0.86 RAB9A (0.90) RAB9ANPC1TP53ALOX15SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP claimed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 WO claimed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO disclosed