SCHEMBL14535181

SCHEMBL14535181

COc1ccccc1NC(=O)C(N=Nc1ccc(S(=O)(=O)O)cc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP6 P55212 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL14532335 1.00 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL14864524 0.81 KMT2A (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL14535182 0.81 ALDH1A1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL14501386 0.80 TDP1 (0.43) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL14535204 0.79 CA1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL14614648 0.79 CA1 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL14584417 0.79 MEN1 (0.42) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL14584415 0.78 GFER (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL14535113 0.77 MAPT (0.58) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL8930571 0.76 MAPT (0.45) ALDH1A1MEN1KMT2ATSHRCYP1A2

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-7214460-B2 Yellow toner CANON KABUSHIKI KAISHA (JP) 2007-05-08 US disclosed