SCHEMBL3713856

SCHEMBL3713856

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CTDSP1 Q9GZU7 2/20 0.43
KMT2A Q03164 2/20 0.43
BACE1 P56817 2/20 0.42
PTPN1 P18031 2/20 0.41
AURKB Q96GD4 1/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
PDK2 Q15119 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2122346 1.00 RAB9A (0.44) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL2122343 1.00 RAB9A (0.44) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL2568537 0.92 KMT2A (0.43) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL3714840 0.91 SMN1; SMN2 (0.47) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL2123046 0.91 SMN1; SMN2 (0.47) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL2123050 0.91 SMN1; SMN2 (0.47) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL2120036 0.90 RAB9A (0.46) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL479876 0.90 RAB9A (0.46) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL16752527 0.89 BACE1 (0.54) RAB9ANPC1CTDSP1KMT2ABACE1
SCHEMBL2121458 0.89 BACE1 (0.54) RAB9ANPC1CTDSP1KMT2ABACE1

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-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed