SCHEMBL9605904

SCHEMBL9605904

CC(C)(C)OC(=O)N(CCCI)CCCCN(CCCNC(=O)c1ccc(Cl)nc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL15064801 0.92 CA14 (0.47) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL9605543 0.91 CA14 (0.46) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL19414938 0.85 CA14 (0.41) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL15065050 0.84 CA14 (0.41) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL15065051 0.81 MEN1 (0.38) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL9605525 0.79 MEN1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9605524 0.79 CA14 (0.45) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL9605864 0.78 STK17B (0.43) CA14MEN1KMT2ASMN1; SMN2DRD2
SCHEMBL15065019 0.78 CA14 (0.44) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL20289570 0.77 MEN1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069608-A1 TECHNETIUM-99M COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PIERRE FABRE MEDICAMENT (FR) 2012-05-31 WO disclosed