SCHEMBL4139611

SCHEMBL4139611

COc1ccc(OC)c(Oc2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CYP19A1 P11511 3/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALPL P05186 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
CYP17A1 P05093 2/20 0.49

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
SCHEMBL4131898 0.94 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL4130236 0.89 LMNA (0.62) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL11573009 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL11457992 0.80 LMNA (0.81) ALDH1A1SMN1; SMN2CYP19A1KMT2AKDM4E
SCHEMBL31089791 0.79 LMNA (0.59) ALDH1A1SMN1; SMN2CYP19A1KMT2AKDM4E
SCHEMBL11015595 0.79 CA12 (0.65) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL11107948 0.79 LMNA (0.62) ALDH1A1SMN1; SMN2CYP19A1KMT2AKDM4E
SCHEMBL4801989 0.78 LMNA (0.57) ALDH1A1SMN1; SMN2CYP19A1KMT2AKDM4E
SCHEMBL4801999 0.78 LMNA (0.57) ALDH1A1SMN1; SMN2CYP19A1KMT2AKDM4E
SCHEMBL4797433 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP19A1KMT2AKDM4E

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