SCHEMBL18232

SCHEMBL18232

Cn1c(C(F)(F)F)cnc1-c1noc(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
RARB P10826 2/20 0.35
CMA1 P23946 2/20 0.33
PLA2G2A P14555 5/20 0.32
CNR1 P21554 1/20 0.32
ADH5 P11766 1/20 0.32
NR1I2 O75469 1/20 0.31
BRS3 P32247 1/20 0.31
KMO O15229 1/20 0.31
RARG P13631 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
SCHEMBL18496 0.72 ALDH1A1 (0.40) ALDH1A1RARBPLA2G2AADH5KMO
SCHEMBL13216898 0.66 SMN1; SMN2 (0.37) ALDH1A1
SCHEMBL21479564 0.65 RORC (0.36)
SCHEMBL16285376 0.65 CCR1 (0.48) ALDH1A1RARBPLA2G2AADH5KMO
SCHEMBL10223739 0.64 ALDH1A1 (0.35) ALDH1A1RARBADH5KMO
SCHEMBL15528727 0.64 EPHX2 (0.37) ALDH1A1KMO
SCHEMBL21939306 0.63 ALDH1A1 (0.35) ALDH1A1RARBCMA1KMORARG
SCHEMBL2334939 0.63 KMO (0.41) ALDH1A1RARBKMO
SCHEMBL604062 0.63 HPGD (0.37) ALDH1A1RARBCNR1NR1I2BRS3
SCHEMBL2338992 0.63 RARB (0.37) ALDH1A1RARBCNR1KMO

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-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed