SCHEMBL8563410

SCHEMBL8563410

CC1=C(c2ccc(S(=O)(=O)CCO)cc2)C(=O)N=N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.46
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
LOX P28300 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 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
SCHEMBL692424 0.80 ADORA2B (0.40) ALDH1A1CYP2C19POLBKMT2ALMNA
SCHEMBL10792219 0.75 CA2 (0.69) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9325260 0.73 CA2 (0.78) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9660904 0.71 CYP2D6 (0.47) ALDH1A1CYP2C9CYP2C19POLBKMT2A
SCHEMBL505791 0.71 ALDH1A1 (0.69) CA2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL14879863 0.70 PTPRB (0.38) CA2
SCHEMBL9181922 0.69 NPC1 (0.37) ALDH1A1KMT2ANPC1LMNAMAPT
SCHEMBL9455156 0.69 ALDH1A1 (0.39) CA2ALDH1A1CYP3A4KMT2ANPC1
SCHEMBL182947 0.68 PDE4B (0.42) ALDH1A1POLBKMT2ALMNAMAPT
SCHEMBL7033001 0.68 CA2 (0.64) CA2ALDH1A1CYP3A4CYP2C9CYP2C19

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-5717077-A GREEN COLORFASTNESS, UNIFORMITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-10 US disclosed