SCHEMBL7559601

SCHEMBL7559601

O=C1C=Cc2ccc3cccnc3c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.56
▸ LMNA P02545 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ GMNN O75496 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ CCR1 P32246 1/20 0.48
▸ THPO P40225 1/20 0.48

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
SCHEMBL28378342 0.77 CES1 (0.47) CES1LMNAKDM4EMAPTALOX15
SCHEMBL70455 0.73 CES1 (0.56) CES1LMNAKDM4EMAPTHTT
SCHEMBL8058005 0.73 LMNA (0.44) LMNAKDM4ETDP1MAPTHTT
SCHEMBL26613646 0.72 KDM4E (0.47) LMNAKDM4ETDP1MAPTHTT
SCHEMBL380656 0.72 CES1 (1.00) CES1LMNAKDM4ETDP1MAPT
Phenanthroline SCHEMBL417111 0.70 LMNA (0.73) LMNAKDM4ETDP1MAPTHTT
SCHEMBL21096502 0.70 KDM4E (0.48) LMNAKDM4ETDP1MAPTHTT
Phenanthroline SCHEMBL8685731 0.69 CCR1 (0.89) LMNAKDM4ETDP1MAPTHTT
Phenanthroline SCHEMBL30451276 0.69 CCR1 (0.89) LMNAKDM4ETDP1MAPTHTT
Phenanthroline SCHEMBL8722750 0.69 KDM4E (0.70) LMNAKDM4ETDP1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946477-B1 DERIVATIVES OF 9,9-DIFLUORO-9,10-DIHYDROPHENANTHRENE FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECHNOLOGY GMBH (DE) 2002-07-31 — — EP disclosed
EP-0946473-B1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECHNOLOGY GMBH (DE) 2002-07-31 — — EP disclosed
US-6168838-B1 FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICE AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-01-02 — — US disclosed
EP-0946477-A1 DERIVATIVES OF 9,9-DIFLUORO-9,10-DIHYDROPHENANTHRENE FOR LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG. (DE) 1999-10-06 — — EP disclosed
EP-0946473-A1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG. (DE) 1999-10-06 — — EP disclosed
WO-1998027035-A1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 — — WO disclosed
WO-1998027043-A1 DERIVATIVES OF 9,9-DIFLUORO-9,10-DIHYDROPHENANTHRENE FOR LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-06-25 — — WO disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 — — US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 — — US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 — — EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 — — EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 — — US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 — — EP disclosed
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