SCHEMBL9180479

SCHEMBL9180479

CCCCCCCCCc1ccc(-c2ccc(O)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 1.00
▸ SMN1; SMN2 Q16637 10/20 1.00
▸ NPC1 O15118 8/20 1.00
▸ MAPT P10636 4/20 1.00
▸ STAT3 P40763 1/20 1.00
▸ ATM Q13315 1/20 1.00
▸ NFKB1 P19838 4/20 0.68
▸ NFKB2 Q00653 4/20 0.68
▸ RELA Q04206 4/20 0.68
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ CASP3 P42574 2/20 0.68
▸ SENP8 Q96LD8 2/20 0.68
▸ SENP7 Q9BQF6 2/20 0.68
▸ SENP6 Q9GZR1 2/20 0.68
▸ MAPK1 P28482 2/20 0.64
▸ KDM4E B2RXH2 5/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ TP53 P04637 3/20 0.62
▸ ESR1 P03372 2/20 0.62
▸ ADRA2A P08913 2/20 0.62

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
SCHEMBL6283948 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL7752727 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10685934 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8025073 1.00 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9326045 0.98 RAB9A (0.97) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9326013 0.98 RAB9A (0.97) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10459672 0.98 RAB9A (0.97) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL7789917 0.97 RAB9A (0.94) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL21816567 0.94 RAB9A (0.88) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9329063 0.92 RAB9A (0.86) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482024-B1 CHIRAL OR ACHIRAL RING COMPOUNDS MERCK PATENT GMBH (DE) 1995-05-24 — — EP disclosed
EP-0482024-A1 CHIRAL OR ACHIRAL RING COMPOUNDS. MERCK PATENT GMBH (DE) 1992-04-29 — — EP disclosed
EP-0239403-B1 2-(4'-ALKOXYPHENYL)-5-ALKYLPYRIDINES Chisso Corporation (JP) 1992-01-08 — — EP disclosed
US-5055222-A Enantiomorph for use in liquid crystal display elements CHISSO CORPORATION (JP) 1991-10-08 — — US disclosed
WO-1991000897-A1 CHIRAL OR ACHIRAL RING COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-01-24 — — WO disclosed
US-4795587-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-01-03 — — US disclosed
US-4752413-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1988-06-21 — — US disclosed
EP-0267758-A2 Alpha-substituted-propionic acid esters Chisso Corporation (JP) 1988-05-18 — — EP disclosed
EP-0247804-A2 2-(Alkyloxycarbonyloxyphenyl)-5-alkylpyridine and composition containing same Chisso Corporation (JP) 1987-12-02 — — EP disclosed
EP-0239403-A1 2-(4'-Alkoxyphenyl)-5-alkylpyridines Chisso Corporation (JP) 1987-09-30 — — EP disclosed
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