SCHEMBL9228682

SCHEMBL9228682

CC(C)(C)Nc1ccc([S+]([O-])c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31
CCNA1 P78396 1/20 0.31
CNR2 P34972 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL9231502 0.83 ADRB2 (0.33) ALDH1A1HTT
SCHEMBL9231390 0.78 TRPA1 (0.34) POLBALDH1A1MAPTHTT
SCHEMBL9629034 0.74 TSHR (0.41) ALDH1A1MAPT
SCHEMBL10536646 0.74 IDO1 (0.41) ALDH1A1
SCHEMBL10537822 0.74 TSHR (0.41) ALDH1A1MAPT
SCHEMBL9232827 0.73 NPC1 (0.36)
SCHEMBL7227231 0.71 POLB (0.53) POLBALDH1A1MAPTHTT
SCHEMBL9232619 0.71 ALDH1A1 (0.41) POLBALDH1A1MAPT
SCHEMBL9228146 0.71 ATM (0.35) CDK2ALDH1A1MAPT
SCHEMBL9230307 0.70 ALDH1A1 (0.37) POLBALDH1A1MAPT

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
EP-0666253-A1 N-t-BUTYLANILINE ANALOG AND LIPID LEVEL DEPRESSANT CONTAINING THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-08-09 EP disclosed