SCHEMBL6574595

SCHEMBL6574595

Nc1ccc(N=Nc2ccccc2)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.66
TDP1 Q9NUW8 4/20 0.66
ALDH1A1 P00352 4/20 0.66
CYP3A4 P08684 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
TSHR P16473 2/20 0.66
TP53 P04637 1/20 0.66
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
MAPT P10636 7/20 0.55
HTT P42858 3/20 0.55
RAB9A P51151 2/20 0.55
PKM P14618 1/20 0.55
EGFR P00533 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
CASP3 P42574 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
FTO Q9C0B1 1/20 0.50
NPC1 O15118 4/20 0.49

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
SCHEMBL6574594 1.00 MAPK1 (0.66) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11789787 0.85 EGFR (0.72) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11789796 0.85 EGFR (0.72) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
4-Chloroaniline SCHEMBL8717629 0.81 EGFR (0.57) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
4-Chloroaniline SCHEMBL8717627 0.81 EGFR (0.57) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL14437166 0.81 TDP1 (0.96) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL752490 0.81 TDP1 (0.96) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL3069499 0.81 CASP3 (0.55) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL29411152 0.81 EGFR (0.78) MAPK1TDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL29539970 0.81 TDP1 (0.96) MAPK1TDP1ALDH1A1CYP3A4SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1152037-B1 SQUARYLIUM COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME KYOWA HAKKO KOGYO KK (JP) 2004-05-19 EP disclosed
US-6599605-B2 Digital versatile disc high density recording layer KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-07-29 US disclosed
US-20030082329-A1 Squarylium compounds and optical recording media using the same KYOWA HAKKO CHEMICAL CO., LTD. (FORMERLY KYOWA YUKA CO., LTD.) (JP) 2003-05-01 US disclosed
EP-1152037-A9 SQUARYLIUM COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-02-27 EP disclosed
EP-1152037-A1 SQUARYLIUM COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-11-07 EP disclosed