SCHEMBL6832773

SCHEMBL6832773

O=CC=CCc1cccc(NO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
IDO1 P14902 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
MAOB P27338 1/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
CCNB2 O95067 2/20 0.32

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
SCHEMBL6686285 0.83 APP (0.35) HDAC4HDAC8HDAC6HDAC3HDAC1
SCHEMBL6686708 0.82 MAPT (0.47) HDAC1HDAC7MAOBMAPTGAA
SCHEMBL6686307 0.81 THRA (0.38) HDAC4HDAC8HDAC6HDAC3HDAC1
SCHEMBL6683998 0.80 TDP1 (0.39) PDK1PDK2PDK3PDK4MAPT
SCHEMBL16414237 0.77 CCNB2 (0.50) IDO1MAPTCCNB2CDK1CDK4
SCHEMBL16414236 0.77 CCNB2 (0.50) IDO1MAPTCCNB2CDK1CDK4
SCHEMBL6688198 0.75 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL6686837 0.74 CDC25B (0.50) MAPTGAARAB9AMEN1KMT2A
SCHEMBL1348922 0.74 IDO1 (0.47) IDO1MAOBMEN1KMT2A
SCHEMBL2796485 0.74 IDO1 (0.47) IDO1MAOBSMN1; 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 2 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-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed