SCHEMBL11655166

SCHEMBL11655166

COc1ccc(NN=C(CO)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 8/20 0.52
LMNA P02545 4/20 0.52
APEX1 P27695 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 7/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 6/20 0.47
HTT P42858 3/20 0.47
PTGS2 P35354 1/20 0.47
MAPK1 P28482 1/20 0.46
KCNK9 Q9NPC2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL11656997 0.88 MAPT (0.60) MAPTALDH1A1LMNAAPEX1NPC1
SCHEMBL11656106 0.87 MAPT (0.51) MAPTALDH1A1LMNAAPEX1NPC1
SCHEMBL9469134 0.87 MAPT (0.51) MAPTALDH1A1LMNAAPEX1NPC1
SCHEMBL16266288 0.84 MAPT (0.53) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL11652493 0.83 CA1 (0.56) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL3897182 0.81 MAPT (0.61) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL11650208 0.81 GAA (0.48) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL31213402 0.76 MAPT (0.63) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL8138395 0.75 MAPT (0.51) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL8138399 0.75 MAPT (0.51) MAPTALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4096112-A POLYVINYL CHLORIDE LABAZ (FR) 1978-06-20 US disclosed
US-4024155-A 2-(3'-Methoxy-4'-hydroxy-phenol)-indole LABAZ (FR) 1977-05-17 US disclosed