SCHEMBL8930240

SCHEMBL8930240

Nc1nc(C(=O)c2ccccc2)nc2nc(C(=O)c3ccccc3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
FABP6 P51161 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CCNA2 P20248 4/20 0.36
CDK2 P24941 4/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
RAB9A P51151 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MAPK14 Q16539 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD4 O60885 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL5694214 0.84 ABL1 (0.38) ABL1FABP6ALDH1A1CCNA2CDK2
SCHEMBL8446396 0.77 CCNA2 (0.39) ABL1FABP6ALDH1A1CCNA2CDK2
SCHEMBL5694187 0.77 FGFR1 (0.57) ABL1FABP6
SCHEMBL28489651 0.70 ALDH1A1 (0.65) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL7088783 0.69 ALDH1A1 (0.52) ABL1FABP6ALDH1A1CCNA2CDK2
SCHEMBL134274 0.68 ALDH1A1 (0.62) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL9275655 0.68 MAPT (0.37) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL1747858 0.67 PDE10A (0.61) MAPTKMT2A
SCHEMBL5651223 0.66 MAPT (0.46) ALDH1A1CCNA2CDK2MAPTGAA
SCHEMBL17279756 0.65 ALDH1A1 (0.46) ABL1FABP6ALDH1A1MAPTRAB9A

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
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO claimed
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO disclosed