SCHEMBL6971370

SCHEMBL6971370

O=[N+]([O-])c1c[c]ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
KIF18A Q8NI77 1/20 0.57
MEN1 O00255 3/20 0.51
RAB9A P51151 2/20 0.48
HTR6 P50406 2/20 0.43
MAPT P10636 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPY1R P25929 1/20 0.41
AGTR1 P30556 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ABCC9 O60706 1/20 0.38

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
SCHEMBL2041279 0.81 KMT2A (1.00) KMT2AKIF18AMEN1RAB9AHTR6
SCHEMBL8002521 0.78 KMT2A (0.43) KMT2AKIF18AMEN1POLBALDH1A1
SCHEMBL3531002 0.78 VCAM1 (0.44) KMT2AKIF18AMEN1POLBALDH1A1
SCHEMBL4783767 0.78 HTR6 (0.61) KMT2AHTR6GFERNPSR1POLB
SCHEMBL8208093 0.78 KMT2A (0.93) KMT2AKIF18AMEN1RAB9AHTR6
SCHEMBL10040107 0.76 KIF18A (0.68) KMT2AKIF18AMEN1RAB9AHTR6
SCHEMBL5454671 0.76 HTR6 (0.46) KMT2AKIF18AHTR6GFERNPSR1
SCHEMBL28252471 0.75 HTR6 (0.45) KMT2AKIF18AMEN1HTR6MAPT
SCHEMBL22028032 0.75 POLB (0.50) KMT2AKIF18AMEN1HTR6GFER
SCHEMBL11590219 0.74 KMT2A (0.63) KMT2AKIF18AMEN1RAB9AHTR6

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
CN-1433407-A Bis-aryl sulfones PHARMACIA & UP JOHN CO (US) 2003-07-30 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed