SCHEMBL20134843

SCHEMBL20134843

CCOC(=O)c1ccc(C(C#N)(C(=O)OC(C)(C)C)C(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ESR1 P03372 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ESR2 Q92731 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL20135688 0.83 MAPT (0.38) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL20135150 0.81 MAPT (0.36) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL20135375 0.75 MAPT (0.41) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL12868073 0.75 KMT2A (0.54) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL20134842 0.74 SMN1; SMN2 (0.49) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL20135239 0.72 MAPT (0.39) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL20135236 0.72 MAPT (0.39) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL838555 0.71 CA12 (0.49) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL20791702 0.71 MAPT (0.38) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL20791683 0.70 MAPT (0.39) MAPTNPSR1SMN1; SMN2NPC1RAB9A

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
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed