SCHEMBL15569408

SCHEMBL15569408

Cc1c(C(=O)C2=C(O)CCCC2=O)nn(C)c(=O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDK8 P49336 2/20 0.39
ACVR1 Q04771 1/20 0.39
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MAT2A P31153 1/20 0.34
CSF1R P07333 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
SCHEMBL15568846 0.88 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL20720005 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15569517 0.76 CDK8 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15569803 0.76 POLB (0.35) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL15568776 0.75 MEN1 (0.33) MEN1KMT2ALMNA
SCHEMBL15569610 0.73 ATM (0.37) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15570307 0.72 TP53 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ACDK8
SCHEMBL15569851 0.70 TSHR (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15569697 0.70 GAA (0.38) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2779365 0.69 MAPT (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E

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