SCHEMBL20676398

SCHEMBL20676398

CCCc1cc(OC)c(OC)cc1-c1csc(C2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.42
▸ BAZ2A Q9UIF9 2/20 0.41
▸ EPHA2 P29317 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HMGCR P04035 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SREBF2 Q12772 1/20 0.35
▸ AOC3 Q16853 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL4261970 0.78 HPGDS (0.52) HPGDSTLR9TLR8TLR7SMN1; SMN2
Bromide SCHEMBL2984287 0.77 HPGDS (0.51) HPGDSTLR9TLR8TLR7SMN1; SMN2
SCHEMBL4257716 0.76 HPGDS (0.53) HPGDSHTR2AHTR2CMEN1KMT2A
SCHEMBL4262081 0.76 CYP1A1 (0.59) HPGDSTLR9TLR7SMN1; SMN2ALDH1A1
Bromide SCHEMBL2981940 0.75 HPGDS (0.52) HPGDSL3MBTL1HTR2AHTR2CMEN1
Bromide SCHEMBL2985795 0.75 CYP1A1 (0.57) HPGDSTLR9TLR7SMN1; SMN2ALDH1A1
SCHEMBL27713695 0.74 HPGDS (0.45) HPGDSBAZ2AEPHA2KDREPHB4
SCHEMBL12620740 0.72 BAZ2A (0.47) HPGDSBAZ2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL4257174 0.71 RAB9A (0.60) HPGDSSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL4255919 0.70 JAK2 (0.44) HPGDSBAZ2ASMN1; SMN2LMNAL3MBTL1

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
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
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