SCHEMBL6691525

SCHEMBL6691525

NSc1nsc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ EPAS1 Q99814 9/20 0.43
▸ EPHX2 P34913 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ TP53 P04637 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL11600529 0.83 MAPT (0.54) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL18485267 0.79 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL9731178 0.75 MAPT (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL18193688 0.75 MAPT (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL14805661 0.75 MAPT (0.46) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL10766120 0.72 ALDH1A1 (0.43) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL290849 0.71 KDM4E (1.00) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL29432549 0.71 KDM4E (1.00) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL15665083 0.71 MAPT (0.42) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL2954045 0.71 MAPT (0.42) MAPTKDM4EALDH1A1HSD17B10EPAS1

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
WO-2004071740-A1 ELASTOMERIC STRUCTURAL ELEMENTS CROSSTIE TECHNOLOGIES, INC. (US) 2004-08-26 — — WO claimed
WO-2004007606-A1 RUBBER COMPOSITIONS AND METHODS FOR IMPROVING SCORCH SAFETY AND HYSTERETIC PROPERTIES OF THE COMPOSITIONS UNIROYAL CHEMICAL COMPANY, INC. (US) 2004-01-22 — — WO disclosed
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