SCHEMBL8811862

SCHEMBL8811862

COc1ccc(C2C(C#N)=C(n3cccc3)Oc3c2ccc2ccccc32)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 15/20 0.74
▸ POLB P06746 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ USP2 O75604 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX12 P18054 1/20 0.52

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
SCHEMBL8808882 0.87 MYB (0.58) MYB
SCHEMBL8543671 0.85 MYB (1.00) MYBPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL8809691 0.83 MYB (0.60) MYBMEN1LMNACYP1A2MAPT
SCHEMBL8807516 0.82 MEN1 (0.51) MYBSMN1; SMN2MEN1LMNACYP1A2
SCHEMBL8808545 0.82 CYP1A2 (0.54) MYBPOLBSMN1; SMN2MEN1LMNA
SCHEMBL8810581 0.80 MYB (0.48) MYBPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL8810542 0.78 MYB (0.74) MYBRAB9AMEN1LMNACYP1A2
SCHEMBL8811314 0.77 ALDH1A1 (0.54) MYBPOLBRAB9AMEN1LMNA
SCHEMBL15614738 0.77 MYB (1.00) MYBPOLBRAB9ASMN1; SMN2MEN1
SCHEMBL4335346 0.75 MYB (1.00) MYB

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 6 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
US-5514699-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-05-07 — — US disclosed
EP-0618206-A1 Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1994-10-05 — — EP disclosed
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