SCHEMBL20107145

SCHEMBL20107145

CCc1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccc(-c8ccc(-c9ccccc9)cc8)cc7c7cc(-c8ccc(-c9ccccc9)cc8)ccc76)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.36
PTGES O14684 1/20 0.36
TSPO P30536 1/20 0.34
MAPT P10636 3/20 0.33
PDE7A Q13946 1/20 0.33
PDE7B Q9NP56 1/20 0.33
POLB P06746 1/20 0.33
KHK P50053 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DNM1 Q05193 1/20 0.32
TDP2 O95551 1/20 0.32
NR4A2 P43354 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 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
SCHEMBL20058326 0.91 KDM4E (0.35) PTGESTSPOMAPTPOLBDNM1
SCHEMBL14144184 0.91 TSPO (0.33) MAPKAPK2PTGESTSPOMAPTPDE7A
SCHEMBL12612038 0.90 KDM4E (0.36) TSPOALK
SCHEMBL20058327 0.88 KDM4E (0.36) PTGESMAPTPOLBTP53RXRA
SCHEMBL13872342 0.87 HTT (0.38) MAPTTP53RAB9ASMN1; SMN2NR4A2
SCHEMBL13872333 0.87 HTT (0.38) MAPTTP53RAB9ASMN1; SMN2NR4A2
SCHEMBL20058352 0.85 AKR1C4 (0.36) MAPTPOLBTP53
SCHEMBL13872340 0.85 HTT (0.36) MAPTTP53RAB9ASMN1; SMN2PPARG
SCHEMBL9921081 0.84 L3MBTL1 (0.47) PTGESTSPOMAPTDNM1RXRA
SCHEMBL13872332 0.84 L3MBTL1 (0.39) TSPORAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463352-B1 Light emitting device material and light emitting device TORAY INDUSTRIES (JP) 2018-05-02 EP disclosed