SCHEMBL10949986

SCHEMBL10949986

CN(C)Nc1ccc(N=Nc2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
RAB9A P51151 9/20 0.56
NPC1 O15118 6/20 0.56
TDP1 Q9NUW8 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
HTT P42858 2/20 0.54
PKM P14618 1/20 0.54
CA12 O43570 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
MAPK1 P28482 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 3/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL1767113 0.87 ALDH1A1 (0.46) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL5692745 0.81 ALDH1A1 (0.50) MAPTRAB9ANPC1TDP1MEN1
SCHEMBL31558904 0.77 MAPT (0.64) MAPTRAB9ANPC1TDP1MEN1
SCHEMBL18826528 0.76 ALDH1A1 (0.41) MAPTRAB9ANPC1TDP1MEN1
SCHEMBL11329248 0.75 MAPT (1.00) MAPTRAB9ANPC1TDP1MEN1
SCHEMBL11329238 0.75 MAPT (1.00) MAPTRAB9ANPC1TDP1MEN1
SCHEMBL11318226 0.75 MAPT (1.00) MAPTRAB9ANPC1TDP1MEN1
SCHEMBL16556 0.75 MAPT (1.00) MAPTRAB9ANPC1TDP1MEN1
SCHEMBL205992 0.75 MAPT (1.00) MAPTRAB9ANPC1TDP1MEN1
SCHEMBL11329226 0.75 MAPT (1.00) MAPTRAB9ANPC1TDP1MEN1

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-4496482-A FROM ISOCYANATOSILANES, FOR BONDING TO SUBSTRATES UNION CARBIDE CORPORATION (US) 1985-01-29 US disclosed
US-4316041-A BOND TO GLASS UNION CARBIDE CORPORATION (US) 1982-02-16 US disclosed