SCHEMBL3897237

SCHEMBL3897237

CCC(=O)Oc1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
TSHR P16473 1/20 0.56
ACLY P53396 1/20 0.53
POLB P06746 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
HTT P42858 1/20 0.50
KCNA5 P22460 1/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
LIMK2 P53671 1/20 0.48
CCR1 P32246 1/20 0.48
CCR2 P41597 1/20 0.48
METAP2 P50579 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ELANE P08246 1/20 0.47
PRTN3 P24158 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
SCHEMBL3253880 0.80 HTT (0.53) KMT2ATSHRPOLBPTGDR2HTT
SCHEMBL8752451 0.79 ALDH1A1 (0.63) KMT2ATSHRPOLBHTTMEN1
SCHEMBL27647760 0.78 CYTH2 (0.53) KMT2AHTTMEN1ALDH1A1LMNA
SCHEMBL9568785 0.77 PTGDR2 (0.48) KMT2ATSHRPOLBPTGDR2HTT
SCHEMBL24260332 0.77 HSD17B10 (0.46) KMT2AACLYPOLBMEN1ALDH1A1
SCHEMBL3380247 0.77 POLB (0.68) KMT2APOLBHTTMEN1ALDH1A1
SCHEMBL360590 0.76 MAPT (0.49) KMT2AACLYHTTMEN1ALDH1A1
SCHEMBL28139674 0.75 KMT2A (0.68) KMT2ATSHRHTTKCNA5MEN1
SCHEMBL21771948 0.74 GAA (0.55) KMT2ATSHRPOLBHTTMEN1
SCHEMBL24260545 0.74 HSD17B10 (0.44) KMT2AACLYPOLBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed