SCHEMBL3789703

SCHEMBL3789703

Cc1cc(Cl)cc(C)c1-c1c(O)c(C)nn(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 3/20 0.34
BRD2 P25440 3/20 0.34
BRD3 Q15059 3/20 0.34
CREBBP Q92793 3/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 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
SCHEMBL919364 0.92 MAPT (0.38) MAPK8MAPK9CDK8ACVR1MAPT
SCHEMBL1517630 0.90 NR2F2 (0.35) MAPK8MAPK9CDK8ACVR1MAPT
SCHEMBL469635 0.89 KDM4E (0.39) CDK8ACVR1MAPTLMNATP53
SCHEMBL510530 0.83 MAPK8 (0.36) MAPK8MAPK9CDK8ACVR1MAPT
SCHEMBL919414 0.80 KMT2A (0.37) MAPK8MAPK9MAPTLMNAALDH1A1
SCHEMBL16642353 0.78 CRHR1 (0.38) CDK8ACVR1MAPTLMNATP53
SCHEMBL513374 0.77 NPC1 (0.39) MAPK8MAPK9CDK8ACVR1MAPT
SCHEMBL2487475 0.77 NMT1 (0.39) MAPK8MAPK9CDK8ACVR1MAPT
SCHEMBL513119 0.76 KDM4E (0.33) CDK8ACVR1LMNAHPGD
SCHEMBL466412 0.75 MAPT (0.36) CDK8ACVR1MAPTLMNATP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204366-A1 Herbicidal and insecticidal phenyl-substituted pyridazinones Bayer CropScience AG (DE) 2010-07-07 EP disclosed