SCHEMBL8205870

SCHEMBL8205870

CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2ccc3ccccc3c2)CO1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
PTPN1 P18031 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7209835 0.86 KMT2A (0.36) KMT2A
SCHEMBL8660051 0.84 CNR1 (0.35) KMT2ACYP3A4CYP2D6KCNH2
SCHEMBL8659691 0.83 PTGS1 (0.42) KMT2A
SCHEMBL8206162 0.82 PTGS2 (0.36) KMT2A
SCHEMBL8663046 0.82 PTGS1 (0.34) KMT2A
SCHEMBL117855 0.82 CNR1 (0.32) KMT2A
SCHEMBL8660792 0.79 DRD1 (0.33) KMT2AKCNH2
SCHEMBL9246074 0.79 KMT2A (0.31) KMT2A
SCHEMBL8106928 0.77 KMT2A (0.35) KMT2A
SCHEMBL9236955 0.77 KMT2A (0.37) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605726-B1 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI CHEM CORP (JP) 2000-04-12 EP disclosed
US-5436224-A Plant growth regulators MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0605726-A1 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-07-13 EP disclosed