SCHEMBL17063545

SCHEMBL17063545

Cc1ccc(Nc2ccc(Nc3ccccc3O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
GAA P10253 8/20 0.58
MAPT P10636 7/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
G6PD P11413 1/20 0.50
CXCR2 P25025 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL30686692 0.98 MAPT (0.60) HPGDGAAMAPTTDP1NPC1
SCHEMBL5823760 0.98 MAPT (0.60) HPGDGAAMAPTTDP1NPC1
SCHEMBL1920750 0.87 CXCR2 (0.59) HPGDGAAMAPTTDP1NPC1
SCHEMBL7830951 0.86 NPSR1 (0.58) HPGDGAAMAPTTDP1NPC1
SCHEMBL11000813 0.85 CXCR2 (0.63) HPGDGAAMAPTTDP1NPC1
SCHEMBL1713014 0.83 MAPT (0.72) HPGDGAAMAPTTDP1NPC1
SCHEMBL1921886 0.81 CXCR2 (0.53) HPGDGAAMAPTTDP1NPC1
SCHEMBL6760764 0.81 MAPT (0.55) HPGDGAAMAPTTDP1NPC1
SCHEMBL29720861 0.81 CXCR2 (0.68) HPGDGAAMAPTTDP1NPC1
SCHEMBL1008928 0.81 CXCR2 (0.68) HPGDGAAMAPTTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900746-B1 RUBBER COMPOSITION AND METHOD FOR LOW RESIN CROSSLINKING MICHELIN & CIE (FR) 2019-09-11 EP disclosed
US-9708459-B2 Rubber composition and method for low resin crosslinking COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-07-18 US disclosed
US-20150252167-A1 RUBBER COMPOSITION AND METHOD FOR LOW RESIN CROSSLINKING COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2015-09-10 US disclosed