SCHEMBL8934592

SCHEMBL8934592

Cc1ccn2c(C)c(CCc3ccc(NC4=NCCO4)cc3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 13/20 0.36
TP53 P04637 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RXFP1 Q9HBX9 1/20 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
SCHEMBL8934556 0.80 ADRA2A (0.48)
SCHEMBL8934533 0.80 NPY1R (0.50) SMN1; SMN2GAAPOLBALDH1A1HPGD
Hydrochloric Acid SCHEMBL8934527 0.79 CRHBP (0.40) MAPTSMN1; SMN2GAATP53POLB
SCHEMBL8934612 0.74 TP53 (0.36) MAPTSMN1; SMN2GAATP53POLB
SCHEMBL8934581 0.74 TP53 (0.36) MAPTSMN1; SMN2GAATP53L3MBTL1
SCHEMBL8934510 0.74 NPC1 (0.41) MAPTSMN1; SMN2GAATP53POLB
SCHEMBL8934521 0.73 THRB (0.39) MAPTGAATP53POLBKDM4E
SCHEMBL9380526 0.71 ALDH1A1 (0.44) MAPTSMN1; SMN2GAATP53POLB
SCHEMBL8934504 0.70 NPY1R (0.48) SMN1; SMN2GAAPOLBALDH1A1HPGD
SCHEMBL9376799 0.68 DNMT1 (0.35) MAPTSMN1; SMN2GAATP53POLB

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
WO-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed