SCHEMBL9762934

SCHEMBL9762934

CC(C)(C)C(=O)Nc1cc([N+](=O)[O-])cc(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
CYTH3 O43739 1/20 0.53
AKT1 P31749 1/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
GPR35 Q9HC97 1/20 0.50
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL9360691 0.84 PDPK1 (0.56) PDPK1CYTH3AKT1GPR35MEN1
SCHEMBL9360223 0.82 PDPK1 (0.61) PDPK1CYTH3AKT1GPR35MEN1
SCHEMBL4969610 0.81 PDK1 (0.76) PDK1PDK2PDK3PDK4MEN1
SCHEMBL11867406 0.81 PDPK1 (0.54) PDPK1CYTH3AKT1GPR35MEN1
SCHEMBL9359744 0.80 PDPK1 (0.53) PDPK1CYTH3AKT1GPR35MEN1
SCHEMBL9762855 0.80 MAPT (0.53) PDPK1CYTH3AKT1GPR35MEN1
SCHEMBL4800113 0.79 GPR35 (0.59) PDPK1CYTH3AKT1GPR35MEN1
SCHEMBL20265727 0.78 PDPK1 (0.54) PDPK1CYTH3AKT1GPR35MEN1
SCHEMBL9359735 0.77 GPR35 (0.50) PDPK1CYTH3AKT1PDK1PDK2
SCHEMBL6357193 0.77 PDK1 (0.55) PDPK1CYTH3AKT1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5067966-A Direct dyeing nitro dye for hair dyes which can be combined with a polymer WELLA AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed