SCHEMBL12636775

SCHEMBL12636775

Cn1ncc(N=Nc2c(C#N)cnn2C)c1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.46
HTT P42858 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.32
PKM P14618 1/20 0.32
F2 P00734 1/20 0.32
XDH P47989 1/20 0.31
ABL1 P00519 1/20 0.31
KDR P35968 1/20 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
SCHEMBL12636778 0.86 MAPT (0.40) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL12636789 0.83 MAPT (0.38) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL12636797 0.81 MAPT (0.36) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL12636776 0.77 MAPT (0.45) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL12636773 0.77 MAPT (0.33) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL175251 0.76
SCHEMBL12636804 0.74 MAPT (0.42) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL12636780 0.73 MAPT (0.31) MAPTPOLBHTTALDH1A1MAPK1
SCHEMBL12636792 0.71 TLR8 (0.31) KDR
SCHEMBL12636725 0.69 SMN1; SMN2 (0.42) MAPTPOLBHTTSMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947625-B2 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-7947625-B2 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-20070202282-A1 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202282-A1 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed