SCHEMBL4741871

SCHEMBL4741871

O=C(O)c1cc(S(=O)(=O)N2CCC(F)(F)CC2)c(C(F)(F)F)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4739897 0.86 ALDH1A1 (0.39) HSD17B10KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4739150 0.85 GSTO1 (0.50) HSD17B10KMT2AMEN1ALDH1A1LMNA
SCHEMBL4741333 0.79 TDP1 (0.50) KMT2AMEN1ALDH1A1TDP1GSTO1
SCHEMBL4741864 0.77 KMT2A (0.49) KMT2AMEN1ALDH1A1L3MBTL1CNR1
SCHEMBL14100610 0.73 GSTO1 (0.45) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL24478422 0.70 ALOX5AP (0.41) HSD17B10KMT2AMEN1CA12CA1
SCHEMBL31494280 0.70 ALOX5AP (0.41) HSD17B10KMT2AMEN1CA12CA1
SCHEMBL11173490 0.69 MEN1 (0.76) HSD17B10KMT2AMEN1ALDH1A1LMNA
SCHEMBL11173862 0.68 POLB (0.65) HSD17B10KMT2AMEN1ALDH1A1LMNA
SCHEMBL15915525 0.67 POLB (0.55) KMT2AMEN1CA1CA2CA4

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
WO-2008098025-A1 ARYLSULFONAMIDE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed
WO-2008098025-A1 ARYLSULFONAMIDE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed