SCHEMBL13780495

SCHEMBL13780495

Cc1ccc(-c2ccc(C)c3nsnc23)c2nsnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 7/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 4/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL178958 0.89 MAPT (0.54) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL19441370 0.86 SMN1; SMN2 (0.40) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL18912541 0.85 ESR2 (0.41) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL13958188 0.83 LMNA (0.42) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL17659990 0.83 CYP2A6 (0.42) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL10330360 0.83 ESR2 (0.40) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL4407792 0.82 MAPT (0.38) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL19033409 0.82 MEN1 (0.38) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL18462108 0.80 KMT2A (0.38) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL13892125 0.79 MGAM (0.42) MAPTMEN1KMT2APKMSMN1; SMN2

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
US-20090181509-A1 POLYMER SEMICONDUCTORS WITH HIGH MOBILITY XEROX CORPORATION (US) 2009-07-16 US disclosed
US-20090181509-A1 POLYMER SEMICONDUCTORS WITH HIGH MOBILITY XEROX CORPORATION (US) 2009-07-16 US disclosed