SCHEMBL7463607

SCHEMBL7463607

Cc1ccc(S(=O)(=O)NC(=O)COc2ccc(C)c(-c3nsc4ccc(-n5c(=O)cc(C(F)(F)F)n(C)c5=O)cc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
RAPGEF3 O95398 3/20 0.34
PTPRC P08575 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN13 Q12923 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGFR P00533 1/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7462646 0.95 RAPGEF3 (0.36) KMT2ARAPGEF3MAPTEGFRALDH1A1
SCHEMBL7458058 0.95 RAPGEF3 (0.33) KMT2ARAPGEF3MAPTEGFRALDH1A1
SCHEMBL7464607 0.95 HSD17B10 (0.38) KMT2ARAPGEF3MAPTEGFRHSD17B10
SCHEMBL7460951 0.95 RAPGEF3 (0.36) KMT2ARAPGEF3MAPTALDH1A1POLB
SCHEMBL7463734 0.93 KMT2A (0.43) KMT2ARAPGEF3PTPN11MAPTMEN1
SCHEMBL7460145 0.91 MEN1 (0.33) KMT2AMAPTMEN1
SCHEMBL7468917 0.90 RAPGEF3 (0.34) RAPGEF3ALDH1A1HSD17B10
SCHEMBL7461643 0.90 RAPGEF3 (0.37) RAPGEF3MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL7460031 0.89 KMT2A (0.37) KMT2ARAPGEF3L3MBTL1MAPTMEN1
SCHEMBL7463599 0.89 L3MBTL1 (0.36) KMT2AL3MBTL1MEN1TDP1HTT

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-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed