SCHEMBL9762855

SCHEMBL9762855

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 3/20 0.53
POLB P06746 2/20 0.53
PDPK1 O15530 1/20 0.53
CYTH3 O43739 1/20 0.53
AKT1 P31749 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GPR35 Q9HC97 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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) MAPTGAAPOLBPDPK1CYTH3
SCHEMBL9360223 0.82 PDPK1 (0.61) MAPTGAAPOLBPDPK1CYTH3
SCHEMBL11867406 0.81 PDPK1 (0.54) MAPTGAAPOLBPDPK1CYTH3
SCHEMBL8407519 0.81 MAPT (0.64) MAPTGAAPOLBPDPK1AKT1
SCHEMBL9762934 0.80 PDPK1 (0.53) MAPTGAAPDPK1CYTH3AKT1
SCHEMBL9359744 0.80 PDPK1 (0.53) MAPTPOLBPDPK1CYTH3AKT1
SCHEMBL4800113 0.79 GPR35 (0.59) MAPTGAAPOLBPDPK1CYTH3
SCHEMBL20265727 0.78 PDPK1 (0.54) MAPTPOLBPDPK1CYTH3AKT1
SCHEMBL9359770 0.77 GPR35 (0.50) MAPTGAAPDPK1CYTH3AKT1
SCHEMBL11733765 0.77 SMN1; SMN2 (0.64) MAPTGAAPOLBPDPK1CYTH3

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