SCHEMBL12245487

SCHEMBL12245487

Cc1nc(N)nc(NCc2cccc(O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HTR1A P08908 1/20 0.46
GPR68 Q15743 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL14869439 0.82 GAA (0.71) GAAHTR1AGPR68ADORA2ANPSR1
SCHEMBL12244458 0.77 GAA (0.37) GAAHTR1AGPR68NPSR1CSNK1D
SCHEMBL10483510 0.75 MEN1 (0.63) GAACYP1A2PKMKMT2AKDM4E
SCHEMBL6740546 0.72 ESR1 (0.45) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL1938196 0.72 HTR7 (0.56) GAAADORA3ADORA2AADORA2BADORA1
SCHEMBL15100791 0.71 PIM1 (0.45) GAAADORA3ADORA2AADORA2BADORA1
Bicarbonate SCHEMBL1939053 0.70 HDAC1 (0.54) GAAKDM4EADORA3ADORA2AADORA2B
SCHEMBL6838173 0.70 CA9 (0.60) GAAALOX15MAPK1KMT2AKDM4E
SCHEMBL6141920 0.70 CYP1A2 (0.50) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL6141842 0.70 EGFR (0.53) GAACYP1A2CYP3A4PKMALOX15

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
US-20110253433-A1 EPOXY RESIN COMPOSITION, AND PREPREG AND PRINTED CIRCUIT BOARD USING THE SAME TAIWAN UNION TECHNOLOGY CORPORATION (TW) 2011-10-20 US disclosed