SCHEMBL11258445

SCHEMBL11258445

FC(F)(F)c1cc(C(F)(F)C(F)(F)F)ccc1-c1nc(Br)c(C(F)(F)F)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
PTGES O14684 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPBWR1 P48145 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL11250776 0.90 ABCC8 (0.44) ABCC8KCNJ11PTGESHDAC3HDAC7
SCHEMBL11249122 0.87 NPBWR1 (0.31) NPBWR1
SCHEMBL11261336 0.86 MPL (0.36) NPBWR1
SCHEMBL11246933 0.82 PTGES (0.43) ABCC8KCNJ11PTGESHDAC3HDAC7
SCHEMBL11248485 0.78 TRPV1 (0.40) NPBWR1
SCHEMBL11262992 0.78 AKR1C3 (0.33) PTGESHDAC3HDAC7HDAC10HDAC6
SCHEMBL11261371 0.77 GPR3 (0.39) PTGESPOLBGAA
SCHEMBL11241077 0.75 MPL (0.44) ABCC8KCNJ11NPBWR1
SCHEMBL11245992 0.75 HDAC3 (0.41) PTGESHDAC3HDAC7HDAC10HDAC6
SCHEMBL11253894 0.75 ALDH1A1 (0.37) ABCC8KCNJ11PTGESHDAC3HDAC7

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