SCHEMBL4133572

SCHEMBL4133572

COc1cccc(Oc2cccnc2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
BRAF P15056 1/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PPARD Q03181 1/20 0.43
CYP19A1 P11511 2/20 0.43
P2RX7 Q99572 1/20 0.42
TSHR P16473 1/20 0.42
PDGFRB P09619 1/20 0.41

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
SCHEMBL4130798 0.90 LMNA (0.56) TGFBR1LMNATDP1BRAFALDH1A1
SCHEMBL4796671 0.86 LMNA (0.49) TGFBR1LMNATDP1BRAFALDH1A1
SCHEMBL11573009 0.84 ALDH1A1 (0.59) TGFBR1LMNATDP1BRAFALDH1A1
SCHEMBL4596133 0.78 MAPK1 (0.59) ALDH1A1SMN1; SMN2MAPK1HTTKMT2A
SCHEMBL2751718 0.76 ALDH1A1 (0.37) TGFBR1BRAFALDH1A1SMN1; SMN2POLB
SCHEMBL4131898 0.75 ALDH1A1 (0.54) LMNATDP1BRAFALDH1A1SMN1; SMN2
SCHEMBL4139611 0.75 ALDH1A1 (0.58) LMNATDP1BRAFALDH1A1SMN1; SMN2
SCHEMBL31666382 0.75 SMN1; SMN2 (0.54) LMNAALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL10900697 0.75 SMN1; SMN2 (0.54) LMNAALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL2753641 0.74 MAPK1 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPK1HTT

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