SCHEMBL15569711

SCHEMBL15569711

Cn1nc(C(=O)O)c(C(F)(F)F)c(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.44
CDK8 P49336 2/20 0.43
POLB P06746 2/20 0.43
ACVR1 Q04771 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
CSF1R P07333 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCQ Q04759 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL32691268 0.81 PTGER1 (0.46) GLAPOLBS1PR1S1PR3ALDH1A1
SCHEMBL15569517 0.80 CDK8 (0.51) TP53LMNACDK8POLBACVR1
SCHEMBL15568546 0.80 TP53 (0.48) GLATP53LMNACDK8POLB
SCHEMBL15569628 0.78 TP53 (0.41) GLATP53LMNACDK8POLB
SCHEMBL15570020 0.76 TP53 (0.51) TP53LMNACDK8POLBACVR1
SCHEMBL253745 0.71 MAPT (0.49) GLATP53LMNACDK8POLB
SCHEMBL30835649 0.70 KDM4E (0.47) GLATP53LMNACDK8POLB
SCHEMBL3652058 0.69 ALDH1A1 (0.64) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL18590177 0.69 KMT2A (0.40) TP53LMNACDK8POLBACVR1
SCHEMBL15569851 0.68 TSHR (0.51) TP53LMNASMN1; SMN2MEN1KMT2A

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