SCHEMBL8807516

SCHEMBL8807516

COC(=O)c1cccc(C2C(C#N)=C(n3cccc3)Oc3c2ccc2ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MYB P10242 14/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX12 P18054 1/20 0.45

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
SCHEMBL8809525 0.89 MAPT (0.42) MEN1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL8809348 0.86 POLB (0.53) MEN1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL8812157 0.86 MAPT (0.41) MEN1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL8543562 0.86 MYB (0.67) MEN1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL8808882 0.85 MYB (0.58) MYB
SCHEMBL8811862 0.82 MYB (0.74) MEN1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL8810542 0.80 MYB (0.74) MEN1MAPTKMT2AMYBLMNA
SCHEMBL8809691 0.79 MYB (0.60) MEN1MAPTKMT2AMYBLMNA
SCHEMBL8808545 0.77 CYP1A2 (0.54) MEN1MAPTKMT2AMYBSMN1; SMN2
SCHEMBL8811314 0.77 ALDH1A1 (0.54) MEN1MAPTKMT2AMYBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618206-B1 Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-09-17 — — EP disclosed
US-5576325-A TREATMENT OF IMMUNE DISEASES, RESTENOSIS, ENZYME INHIBITORS AND ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1996-11-19 — — US disclosed
US-5574034-A TREATMENT OF IMMUNE DISEASES AND EXCESS CELL PROLIFERATION, ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1996-11-12 — — US disclosed
US-5571818-A FOR TREATING IMMUNE DISEASES OR A DISEASE IN WHICH EXCESS CELL PROLIFERATION OR ENZYME RELEASE OCCUR ELI LILLY AND COMPANY (US) 1996-11-05 — — US disclosed
EP-0618206-A1 Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1994-10-05 — — EP disclosed
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