SCHEMBL4283825

SCHEMBL4283825

O=C(OCc1ccccc1)c1c(C(F)(F)F)ccnc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
POLB P06746 2/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TXNRD1 Q16881 1/20 0.42
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PPIA P62937 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
SCHEMBL4288275 0.85 POLB (0.56) L3MBTL1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL4287345 0.76 RXRA (0.41) L3MBTL1SLC6A2SLC6A3POLBRXRA
SCHEMBL31335955 0.74 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3RXRA
SCHEMBL29286531 0.73 L3MBTL1 (0.52) L3MBTL1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL4295539 0.73 RXRA (0.38) L3MBTL1RXRARXRBRXRGLMNA
SCHEMBL16127475 0.72 ALDH1A1 (0.63) L3MBTL1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL24983701 0.71 RXRA (0.51) L3MBTL1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL27032957 0.71 L3MBTL1 (0.52) L3MBTL1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL14740937 0.71 TDP1 (0.49) L3MBTL1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL30141159 0.71 RXRA (0.51) L3MBTL1TDP1KMT2ASLC6A2SLC6A3

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-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 WO disclosed