SCHEMBL17681582

SCHEMBL17681582

CCCCCCC1=C2C=CC(=N2)C(c2ccc(OC)cc2)=C2C=CC(=N2)C(CCCCCC)=C2C=CC(=N2)C(c2ccc(OC)cc2)=C2C=CC1=N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ CCNB2 O95067 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ CCNB3 Q8WWL7 2/20 0.40
▸ PTGES O14684 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HRH2 P25021 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.35
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ ZAP70 P43403 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ PTK2B Q14289 1/20 0.34

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
SCHEMBL17681578 1.00 CASP3 (0.42) CASP3SENP8SENP7SENP6CCNB2
SCHEMBL17681580 0.86 GCGR (0.41) TLR8
SCHEMBL10614683 0.83 RAB9A (0.36) MAPTTLR8ALDH1A1HPGDNPC1
SCHEMBL8198894 0.83 ESR1 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2319620 0.82 MAPT (0.43) MAPTTLR8MGLLALDH1A1NPC1
SCHEMBL2314604 0.81 RARB (0.51) MAPTALDH1A1NPC1RAB9A
SCHEMBL2310945 0.81 RARB (0.51) MAPTALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5534014 0.79 ME2 (0.42) CASP3SENP8SENP7SENP6MAPT
SCHEMBL10717982 0.78 MAPT (0.47) MAPTMGLLALDH1A1HPGDNPC1
SCHEMBL3474362 0.78 MAPT (0.47) MAPTMGLLALDH1A1HPGDNPC1

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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