SCHEMBL4130798

SCHEMBL4130798

COc1cccc(OC)c1Oc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TGFBR1 P36897 1/20 0.49
BRAF P15056 1/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP19A1 P11511 2/20 0.44
PPARD Q03181 1/20 0.42
TSHR P16473 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 1/20 0.41
P2RX7 Q99572 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
SCHEMBL4133572 0.90 TGFBR1 (0.53) LMNATDP1SMN1; SMN2ALDH1A1TGFBR1
SCHEMBL11573009 0.84 ALDH1A1 (0.59) LMNATDP1SMN1; SMN2ALDH1A1TGFBR1
SCHEMBL4796671 0.79 LMNA (0.49) LMNATDP1SMN1; SMN2ALDH1A1TGFBR1
SCHEMBL30163333 0.78 LMNA (0.60) LMNATDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11208196 0.77 MAPK1 (0.58) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL11457992 0.76 LMNA (0.81) LMNATDP1SMN1; SMN2ALDH1A1TGFBR1
SCHEMBL162478 0.76
SCHEMBL29441943 0.76
SCHEMBL4130236 0.76 LMNA (0.62) LMNATDP1SMN1; SMN2ALDH1A1TGFBR1
SCHEMBL30535283 0.76 LMNA (0.82) LMNATDP1SMN1; SMN2ALDH1A1CYP19A1

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