SCHEMBL11252508

SCHEMBL11252508

FC(F)(F)c1[nH]c(-c2c(Cl)cc(Cl)cc2Cl)nc1Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.35
S1PR4 O95977 3/20 0.34
PSD A5PKW4 4/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NT5E P21589 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31

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
SCHEMBL11251809 0.91 PTGES (0.34) NPBWR1S1PR4PSDHTT
SCHEMBL11248749 0.85 PSD (0.32) S1PR4PSDHTTHSD17B10KCNQ3
SCHEMBL11251103 0.84 ALDH1A1 (0.41) PSDHTTHSD17B10KCNQ3KCNQ2
SCHEMBL11261743 0.83 PTGES (0.36) NPBWR1PSDNT5E
SCHEMBL11252326 0.83 PTGES (0.34) NPBWR1
SCHEMBL11244118 0.82 CBFB (0.34) NPBWR1
SCHEMBL11245386 0.81 AMY1A (0.33) PSD
SCHEMBL11245732 0.81 GUSB (0.45) NPBWR1S1PR4TNFNOD1
SCHEMBL11255862 0.80 HTT (0.41) S1PR4HTTHSD17B10
SCHEMBL11247001 0.78 PTGES (0.34) NPBWR1

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