SCHEMBL6949586

SCHEMBL6949586

Nc1ccccc1/C=C/c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
NPC1 O15118 4/20 0.52
GFER P55789 1/20 0.52
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A1 P04798 2/20 0.40

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
SCHEMBL6949589 1.00 MAPT (0.52) MAPTNPC1GFERKDM4EHSD17B10
SCHEMBL11301695 0.85 CYP19A1 (0.52) SMN1; SMN2CYP1A2ALOX15CASP1CYP3A4
SCHEMBL9928814 0.85 MAPT (0.53) MAPTNPC1GFERKDM4EHSD17B10
(Z)-1,2-Diphenylethene SCHEMBL28164872 0.83 MAOB (0.56) MAPTNPC1KDM4ERAB9AMEN1
SCHEMBL3885086 0.83 MAOB (0.56) MAPTNPC1KDM4ERAB9AMEN1
SCHEMBL911942 0.83 MAOB (0.56) MAPTNPC1KDM4ERAB9AMEN1
SCHEMBL5431188 0.83 MAOB (0.56) MAPTNPC1KDM4ERAB9AMEN1
SCHEMBL29397541 0.83 MAOB (0.56) MAPTNPC1KDM4ERAB9AMEN1
SCHEMBL10701354 0.81 MAOB (0.54) MAPTNPC1KDM4ERAB9AMEN1
SCHEMBL38340 0.80 CYP3A4 (0.53) MAPTNPC1HSD17B10LMNARAB9A

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
EP-0754682-B9 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2003-09-17 EP disclosed
EP-0754682-B1 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2001-10-17 EP disclosed
US-5972976-A FOR TREATMENT OF VARIOUS MALIGNANT TUMORS; (E)-4-(2-(2-(N-acetyl-N-((p-methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine-1-oxide for example NIPPON SHINYAKU COMPANY, LIMITED 1999-10-26 US disclosed
EP-0754682-A1 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-01-22 EP disclosed