SCHEMBL3999904

SCHEMBL3999904

Brc1ccc(Oc2cncs2)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
ALOX15 P16050 6/20 0.42
ALOX12 P18054 2/20 0.41
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL24252491 0.84 SLC6A2 (0.45) MAPK1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL22010909 0.75 LTA4H (0.41) MAPK1ALDH1A1TDP1TSHRMEN1
SCHEMBL4003143 0.73 HDAC8 (0.35) ALDH1A1HDAC8
SCHEMBL899494 0.73 MAPK1 (1.00) MAPK1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL29367556 0.73 MAPK1 (1.00) MAPK1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL2750138 0.72 MAPK1 (0.53) MAPK1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL5566257 0.68 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRSMN1; SMN2MEN1
SCHEMBL4003856 0.67 KMT2A (0.40) ALDH1A1TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL14938506 0.66 ALOX15 (0.75) MAPK1ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL7526745 0.66 MAPK1 (0.74) MAPK1ALDH1A1TDP1L3MBTL1TSHR

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-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed