SCHEMBL19364794

SCHEMBL19364794

CCCCCN(C(=O)Nc1nnc(-c2cccnc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ADCY1 Q08828 4/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ADCY8 P40145 3/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ATR Q13535 1/20 0.36

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
SCHEMBL19364791 0.89 KDM4E (0.43) KDM4EADCY1TDP1LMNAL3MBTL1
SCHEMBL19365661 0.81 MEN1 (0.39) TLR8MEN1KMT2A
SCHEMBL19365846 0.78 TLR8 (0.41) TLR8
SCHEMBL19365544 0.78 TLR8 (0.41) LMNAHTTMAPTTLR8ALDH1A1
SCHEMBL19364780 0.78 EPHB4 (0.41) MAPTTLR8
SCHEMBL19670424 0.78 MAPK14 (0.37) TLR8ABL1PDGFRBSRCPDGFRA
SCHEMBL19670314 0.77 CA1 (0.49) PTGS2LMNASMN1; SMN2HTTMAPT
SCHEMBL19365825 0.77 MCHR1 (0.40) TLR8
SCHEMBL19364790 0.76 TLR8 (0.42) KDM4ELMNAMAPTTLR8ALDH1A1
SCHEMBL20632399 0.76 TLR8 (0.41) TLR8

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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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