SCHEMBL9044710

SCHEMBL9044710

Nc1ccc(CC=C2C(=O)Nc3ncccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
APP P05067 3/20 0.46
SNCA P37840 3/20 0.46
CTRC Q99895 1/20 0.43
RAF1 P04049 1/20 0.43
NTRK1 P04629 1/20 0.43
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FLT3 P36888 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
MCL1 Q07820 1/20 0.36
GSK3B P49841 2/20 0.35
AKT1 P31749 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TNKS2 Q9H2K2 2/20 0.33

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
SCHEMBL9044907 0.87 MAPT (0.46) MAPTAPPSNCACTRCRAF1
SCHEMBL9043235 0.87 CTRC (0.48) MAPTAPPSNCACTRCRAF1
SCHEMBL8321070 0.80 MAPT (0.70) MAPTAPPSNCACTRCRAF1
SCHEMBL9044361 0.79 MAPT (0.40) MAPTAPPSNCACTRCRAF1
SCHEMBL9047684 0.79 MAPT (0.50) MAPTAPPSNCACTRCRAF1
Hydrochloric Acid SCHEMBL8318774 0.78 MAPT (0.68) MAPTAPPSNCACTRCRAF1
SCHEMBL8320247 0.74 MAPT (0.65) MAPTAPPSNCACTRCRAF1
SCHEMBL18822112 0.72 MAPT (0.59) MAPTAPPSNCACTRCRAF1
SCHEMBL9047847 0.72 APP (0.38) MAPTAPPSNCACTRCRAF1
SCHEMBL8324356 0.71 MAPT (0.65) 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