SCHEMBL20071375

SCHEMBL20071375

Cc1ccc(S(=O)(=O)N2CC23CCN(I)CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
PKM P14618 3/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP2 P08253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40

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
SCHEMBL20154516 0.86 KMT2A (0.50) KMT2APKMHTTALDH1A1POLB
SCHEMBL12296593 0.84 KMT2A (0.54) KMT2APKMHTTALDH1A1POLB
SCHEMBL1919732 0.83 KMT2A (0.53) KMT2APKMHTTALDH1A1POLB
SCHEMBL20148747 0.82 GAA (0.60) KMT2APKMHTTALDH1A1POLB
SCHEMBL20626519 0.82 KDM2B (0.51) KMT2APKMHTTALDH1A1POLB
SCHEMBL20160470 0.80 GAA (0.47) KMT2APKMHTTALDH1A1POLB
SCHEMBL2438590 0.80 KMT2A (0.50) KMT2APKMHTTALDH1A1POLB
SCHEMBL1920025 0.80 KMT2A (0.50) KMT2APKMHTTALDH1A1POLB
SCHEMBL20070949 0.76 RET (0.46) KMT2AHTTALDH1A1MEN1GAA
SCHEMBL19457355 0.74 PKM (0.73) 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-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed