SCHEMBL9047847

SCHEMBL9047847

N=C(N)c1ccc(CC=C2C(=O)Nc3ncccc32)c2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
MAPT P10636 2/20 0.38
SNCA P37840 2/20 0.38
CTRC Q99895 2/20 0.38
RAF1 P04049 1/20 0.36
NTRK1 P04629 1/20 0.36
FLT3 P36888 1/20 0.34
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 3/20 0.31

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
SCHEMBL8318368 0.83 RAF1 (0.46) APPMAPTSNCACTRCRAF1
SCHEMBL8321195 0.76 RAF1 (0.47) APPMAPTSNCACTRCRAF1
SCHEMBL9043235 0.72 CTRC (0.48) APPMAPTSNCACTRCRAF1
SCHEMBL9044710 0.72 MAPT (0.46) APPMAPTSNCACTRCRAF1
SCHEMBL9044907 0.72 MAPT (0.46) APPMAPTSNCACTRCRAF1
SCHEMBL8324445 0.72 RAF1 (0.47) APPMAPTSNCACTRCRAF1
SCHEMBL9047231 0.71 KDM4E (0.49) MAPTCTRCRAF1NTRK1SMN1; SMN2
SCHEMBL8318608 0.70 RAF1 (0.43) APPMAPTSNCACTRCRAF1
SCHEMBL8319991 0.69 RAF1 (0.48) APPMAPTSNCACTRCRAF1
SCHEMBL8320714 0.68 MAPT (0.62) APPMAPTSNCACTRCRAF1

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