SCHEMBL606305

SCHEMBL606305

COc1cc(C2=CC3=CC4=NC(=CC5=NC(=CC6=NC(=C(c7ccc(O)c(OC)c7)C2=N3)C(c2ccc(O)c(OC)c2)=C6c2ccc(O)c(OC)c2)C=C5)C=C4)ccc1O.[Ni]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ CXCL12 P48061 2/20 0.33
▸ MAOB P27338 1/20 0.32
▸ IDO1 P14902 2/20 0.32
▸ APP P05067 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ RECQL P46063 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ CDK4 P11802 2/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CCND1 P24385 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCND3 P30281 2/20 0.31
▸ KDR P35968 2/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FYN P06241 1/20 0.31

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
SCHEMBL5576185 0.83 POLB (0.40) POLBCXCL12MAOBIDO1APP
SCHEMBL8038380 0.80 KDM4E (0.33) KDM4EMAPT
Hydrochloric Acid SCHEMBL5537163 0.79 KDM4E (0.33) KDM4EMAPT
SCHEMBL6292711 0.77 — —
SCHEMBL19718138 0.76 SETD7 (0.39) GAAALDH1A1KDM4EMAPTRAB9A
SCHEMBL11018793 0.72 — —
SCHEMBL8986492 0.72 — —
SCHEMBL613742 0.72 — —
SCHEMBL268108 0.72 — —
SCHEMBL2951402 0.72 PDE4A (0.36) GAAGFERALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114350-B1 Sensors for detecting substances indicative of stroke, ischemia, infection or inflammation N2ITIVE1 INNOVATIONS 2012-02-14 — — US disclosed
US-7769420-B2 Sensors for detecting substances indicative of stroke, ischemia, or myocardial infarction SILVER JAMES H 2010-08-03 — — US disclosed
US-20060079740-A1 Sensors for detecting substances indicative of stroke, ischemia, or myocardial infarction SILVER JAMES H 2006-04-13 — — US disclosed
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