SCHEMBL11684116

SCHEMBL11684116

Nc1ccccc1C(F)(F)F.O=S(=O)=Nc1ccc(CS(=O)(=O)O)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.32
▸ NSD2 O96028 2/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ SLC9A1 P19634 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
SCHEMBL11682698 0.88 LMNA (0.33) FFAR4SLC9A1
SCHEMBL11682708 0.84 POLB (0.42) FFAR4
Aniline SCHEMBL11685961 0.80 PRSS1 (0.37) —
SCHEMBL11682454 0.78 SENP3 (0.44) FFAR4NOS1SLC9A1
SCHEMBL11683105 0.76 ALDH1A1 (0.49) HDAC3HDAC1SLC9A1
SCHEMBL11683650 0.74 FFAR4 (0.34) FFAR4NOS3NOS1NOS2HDAC3
SCHEMBL11681656 0.72 HDAC3 (0.33) FFAR4NOS3NOS1NOS2HDAC3
SCHEMBL11682813 0.72 POLB (0.41) FFAR4
SCHEMBL11684152 0.72 TSHR (0.42) —
SCHEMBL11682586 0.72 HDAC3 (0.33) FFAR4NOS3NOS1NOS2HDAC3

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-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 — — US disclosed
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