SCHEMBL6645649

SCHEMBL6645649

O=c1[nH]nccc1S(=O)(=O)N1CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 4/20 0.53
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4454961 0.73 KMT2A (0.54) KMT2AMEN1MAPK1TSHRTP53
SCHEMBL5829479 0.72 KMT2A (0.78) KMT2AMEN1TSHRTP53LMNA
SCHEMBL30958764 0.72 TSHR (0.57) KMT2AMEN1TSHRTP53LMNA
SCHEMBL1134878 0.72 TSHR (0.57) KMT2AMEN1TSHRTP53LMNA
SCHEMBL2800954 0.71 KMT2A (0.61) KMT2AMEN1CRHBPCRHR2MAPK1
SCHEMBL18601034 0.70 KMT2A (0.60) KMT2AMEN1CRHBPCRHR2MAPK1
SCHEMBL5261945 0.70 TSHR (0.59) KMT2AMEN1MAPK1TSHRTP53
SCHEMBL30866830 0.70 TSHR (0.59) KMT2AMEN1MAPK1TSHRTP53
SCHEMBL4869072 0.69 CRHBP (0.62) KMT2AMEN1CRHBPCRHR2MAPK1
SCHEMBL3622390 0.69 KMT2A (0.63) KMT2AMEN1CRHBPCRHR2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 WO disclosed