SCHEMBL17681580

SCHEMBL17681580

CCCCCCCCCCCCCC1=C2C=CC(=N2)C(c2cccc(OC)c2)=C2C=CC(=N2)C(CCCCCCCCCCCCC)=C2C=CC(=N2)C(c2cccc(OC)c2)=C2C=CC1=N2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.39
▸ DCTPP1 Q9H773 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ NR5A2 O00482 1/20 0.35
▸ NR5A1 Q13285 1/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ ICMT O60725 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ SREBF2 Q12772 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
SCHEMBL585042 0.90 TLR8 (0.36) GCGRCNR1CNR2TLR8DCTPP1
SCHEMBL17681578 0.86 CASP3 (0.42) TLR8
SCHEMBL17681582 0.86 CASP3 (0.42) TLR8
SCHEMBL2313952 0.84 GCGR (0.40) GCGRICMTADORA3ADORA2A
SCHEMBL2337738 0.84 GCGR (0.40) GCGRICMTADORA3ADORA2A
SCHEMBL433808 0.83 DYRK1A (0.49) DYRK1ACLK4MAOB
SCHEMBL584885 0.81 TSHR (0.50) —
SCHEMBL2360345 0.77 CYP1A2 (0.32) CNR1ADORA3
Hydrochloric Acid SCHEMBL588718 0.77 CYP1A2 (0.33) —
SCHEMBL17687649 0.75 DYRK1A (0.42) DYRK1ACLK4MAOB

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-9315510-B2 Method and application of unsymmetrically meso-substituted porphyrins and chlorins for PDT BIOLITEC PHARMA MARKETING LTD (MY) 2016-04-19 — — US claimed
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