SCHEMBL6686285

SCHEMBL6686285

CNc1cccc(CC=CC=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
TSHR P16473 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
HTR6 P50406 1/20 0.33
MAOB P27338 1/20 0.32
BRD4 O60885 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
MAPT P10636 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
HDAC3 O15379 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
SCHEMBL12838129 0.84 TSHR (0.39) APPTSHRPDK1PDK2PDK3
SCHEMBL6686307 0.84 THRA (0.38) PDK1PDK2PDK3PDK4BRD4
SCHEMBL6832773 0.83 HDAC4 (0.33) PDK1PDK2PDK3PDK4MAOB
SCHEMBL6683998 0.83 TDP1 (0.39) TSHRPDK1PDK2PDK3PDK4
SCHEMBL6686708 0.82 MAPT (0.47) TSHRHTR6MAOBMAPTCCNB2
SCHEMBL25659414 0.81 APP (0.37) APPTSHRHTR6MAOBBRD4
SCHEMBL30753807 0.77 IDO1 (0.47) MAOB
SCHEMBL1348922 0.77 IDO1 (0.47) MAOB
SCHEMBL2655572 0.77 APP (0.35) APPTSHRHTR6MAOBBRD4
SCHEMBL28387332 0.75 ALDH1A1 (0.42) APPTSHRMAPTRAPGEF4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed