SCHEMBL11263574

SCHEMBL11263574

CC(C)Oc1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1C(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
XDH P47989 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL11242427 0.88 SOS1 (0.35) DHODHRXFP1
SCHEMBL11246024 0.85 PDE3B (0.33)
SCHEMBL11256153 0.85 F10 (0.33)
SCHEMBL11252299 0.84 XDH (0.33) XDH
SCHEMBL11262181 0.84 ALDH1A1 (0.32)
SCHEMBL11252931 0.83 TRPA1 (0.36)
SCHEMBL11252271 0.81 POLB (0.36)
SCHEMBL11250185 0.81 PDE3B (0.31)
SCHEMBL11243215 0.81 TRPA1 (0.33)
SCHEMBL11251640 0.80 SOS1 (0.37) RXFP1

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
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed