SCHEMBL9435776

SCHEMBL9435776

COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
MAPT P10636 4/20 1.00
NPC1 O15118 3/20 1.00
NOX1 Q9Y5S8 3/20 1.00
TP53 P04637 2/20 1.00
ESR2 Q92731 1/20 1.00
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA9 Q16790 2/20 0.66
GAA P10253 1/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 2/20 0.63
SAE1 Q9UBE0 1/20 0.63
UBA2 Q9UBT2 1/20 0.63
POLB P06746 3/20 0.60
TSHR P16473 1/20 0.59
CSF1R P07333 1/20 0.58

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
SCHEMBL29663991 0.87 RAB9A (0.76) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL11092496 0.87 RAB9A (1.00) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL17628550 0.82 RAB9A (0.88) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL8361583 0.80 RAB9A (0.85) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL11106394 0.80 RAB9A (0.85) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL28600287 0.80 RAB9A (0.72) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL5982541 0.80 RAB9A (0.69) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL1897292 0.80 RAB9A (0.85) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL3223775 0.80 MAPT (0.71) RAB9ASMN1; SMN2MAPTNPC1NOX1
SCHEMBL55926 0.79 SLC2A1 (0.75) RAB9ASMN1; SMN2MAPTNPC1NOX1

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-5283362-A Reacting with an amine, terminating the reaction before the formation of by-product CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1994-02-01 US disclosed