SCHEMBL15570307

SCHEMBL15570307

Cc1c(C(=O)OC2=CC(=O)CCC2)nn(C)c(=O)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL15570064 0.88 TP53 (0.43) TP53LMNAMAPTSMN1; SMN2CDK8
SCHEMBL15570257 0.88 TP53 (0.43) TP53LMNAMAPTSMN1; SMN2CDK8
SCHEMBL15569628 0.85 TP53 (0.41) TP53LMNAMAPTSMN1; SMN2CDK8
SCHEMBL15569366 0.77 MAPT (0.31) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15569851 0.77 TSHR (0.51) TP53LMNAMAPTSMN1; SMN2MEN1
SCHEMBL15569517 0.76 CDK8 (0.51) TP53LMNAMAPTSMN1; SMN2CDK8
SCHEMBL15569514 0.75 ATM (0.38) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15569784 0.74 LMNA (0.32) LMNASMN1; SMN2
SCHEMBL15569408 0.72 SMN1; SMN2 (0.40) TP53LMNAMAPTSMN1; SMN2CDK8
SCHEMBL2781613 0.70 RXFP1 (0.49) TP53LMNAMAPTSMN1; SMN2ALDH1A1

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
WO-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed