SCHEMBL8024905

SCHEMBL8024905

Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
PKM P14618 3/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
MEN1 O00255 3/20 0.54
LMNA P02545 3/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD11B1 P28845 1/20 0.51
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL505093 0.92 KMT2A (0.69) KMT2APKMHTTALDH1A1POLB
SCHEMBL265611 0.82 PKM (0.61) KMT2APKMHTTALDH1A1POLB
SCHEMBL8200466 0.79 PKM (0.88) KMT2APKMHTTALDH1A1POLB
SCHEMBL4537086 0.79 PKM (0.88) KMT2APKMHTTALDH1A1POLB
SCHEMBL3971438 0.79 PKM (0.88) KMT2APKMHTTALDH1A1POLB
SCHEMBL10724066 0.79 PKM (0.88) KMT2APKMHTTALDH1A1POLB
SCHEMBL699639 0.79 PKM (0.88) KMT2APKMHTTALDH1A1POLB
SCHEMBL8203532 0.79 PKM (0.88) KMT2APKMHTTALDH1A1POLB
SCHEMBL565301 0.79 PKM (0.88) KMT2APKMHTTALDH1A1POLB
SCHEMBL3303527 0.79 PKM (0.88) KMT2APKMHTTALDH1A1POLB

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
WO-2000051978-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE NITROMED, INC. (US) 2000-09-08 WO disclosed