SCHEMBL13740923

SCHEMBL13740923

Cc1nn(-c2cccnc2)c(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
CYP2E1 P05181 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM1 Q13255 5/20 0.40
ALOX12 P18054 1/20 0.38
NFE2L2 Q16236 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTT P42858 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18949738 0.83 TSHR (0.49) CYP2A6CYP2E1CYP3A4TSHRNPC1
SCHEMBL10049736 0.80 SMN1; SMN2 (0.52) NPC1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL12335152 0.80 SMN1; SMN2 (0.57) CYP2A6CYP2E1CYP3A4TSHRNPC1
SCHEMBL30177044 0.77 TSHR (0.45) CYP2A6CYP2E1CYP3A4TSHRNPC1
SCHEMBL23403628 0.75 ALDH1A1 (0.54) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL25823001 0.73 CYP2A6 (0.44) CYP2A6CYP2E1CYP3A4TSHRNPC1
SCHEMBL23401391 0.73 L3MBTL1 (0.44) CYP3A4TSHRNPC1MAPTRAB9A
SCHEMBL13741601 0.72 SMN1; SMN2 (0.49) NPC1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL10049726 0.72 KMT2A (0.50) MAPTSMN1; SMN2GRM1HTTALDH1A1
SCHEMBL29591487 0.72 CYP11B2 (0.57) CYP2A6CYP2E1CYP3A4NPC1MAPT

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-20090207712-A1 OPTICAL RECORDING MEDIUM AND METHOD OF RECORDING VISIBLE INFORMATION FUJIFILM CORPORATION (JP) 2009-08-20 US disclosed
US-20090022047-A1 OPTICAL RECORDING MEDIUM AND METHOD OF RECORDING VISIBLE INFORMATION FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed