SCHEMBL4060891

SCHEMBL4060891

Oc1ccccc1-c1ccc2ccncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.57
▸ TDO2 P48775 2/20 0.55
▸ PIK3CD O00329 1/20 0.54
▸ PIK3CB P42338 1/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ PRKCZ Q05513 2/20 0.51
▸ PRKCI P41743 1/20 0.48
▸ CCNC P24863 5/20 0.45
▸ CDK8 P49336 5/20 0.45
▸ CYP17A1 P05093 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ PRKD2 Q9BZL6 1/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL29450621 0.80 PRKCZ (0.60) TDO2PIK3CDPIK3CBPIK3CGPRKCZ
SCHEMBL30463004 0.80 ESR2 (0.78) ESR2HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL217638 0.80 ESR2 (0.78) ESR2HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL18556708 0.78 CYP11B1 (0.69) ESR2TDO2PIK3CDPIK3CBPIK3CG
SCHEMBL5007325 0.77 PRKCZ (0.70) ESR2TDO2PIK3CDPIK3CBPIK3CG
SCHEMBL30568926 0.76 PIK3CD (0.53) TDO2PIK3CDPIK3CBPIK3CGPRKCZ
SCHEMBL4055841 0.76 TDO2 (0.55) TDO2PIK3CDPIK3CBPIK3CGPRKCZ
SCHEMBL28191731 0.75 PRKCZ (0.68) ESR2TDO2PRKCZPRKCICDK8
SCHEMBL18891280 0.74 CYP11B1 (0.69) ESR2TDO2PRKCZCCNCCDK8
SCHEMBL27616562 0.74 ESR2 (0.75) ESR2HDAC4HDAC2HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049555-A2 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2009-04-22 — — EP disclosed
WO-2008014037-A2 ORGANIC IRIDIUM COMPOSITIONS AND THEIR USE IN ELECTRONIC DEVICES GENERAL ELECTRIC COMPANY (US) 2008-01-31 — — WO disclosed
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