SCHEMBL9047684

SCHEMBL9047684

CC(O)N(c1ccc(CC=C2C(=O)Nc3ncccc32)cc1)C(C)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
APP P05067 2/20 0.50
SNCA P37840 2/20 0.50
CTRC Q99895 1/20 0.42
RAF1 P04049 1/20 0.42
NTRK1 P04629 1/20 0.42
FLT3 P36888 1/20 0.37
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
GSK3B P49841 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL8321763 0.83 MAPT (0.72) MAPTAPPSNCACTRCRAF1
SCHEMBL9044907 0.81 MAPT (0.46) MAPTAPPSNCACTRCRAF1
SCHEMBL9043235 0.81 CTRC (0.48) MAPTAPPSNCACTRCRAF1
SCHEMBL9044610 0.81 MAPT (0.42) MAPTAPPSNCACTRCRAF1
SCHEMBL9044710 0.79 MAPT (0.46) MAPTAPPSNCACTRCRAF1
SCHEMBL9044361 0.74 MAPT (0.40) MAPTAPPSNCACTRCRAF1
SCHEMBL8319381 0.73 APP (0.49) MAPTAPPSNCACTRCRAF1
SCHEMBL19411582 0.70 MAPT (0.56) MAPTAPPSNCACTRCRAF1
SCHEMBL19411581 0.70 MAPT (0.56) MAPTAPPSNCACTRCRAF1
SCHEMBL8323139 0.70 MAPT (0.46) MAPTAPPSNCACTRCRAF1

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-0741726-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-11-13 EP disclosed