SCHEMBL8552164

SCHEMBL8552164

CCC(Oc1c(C)cc(-c2noc(C(F)F)n2)cc1C)C1(C)NC=CS1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
S1PR1 P21453 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NR1I2 O75469 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL8553617 0.88 HDAC4 (0.32) HDAC4S1PR1TSHRMAPK1L3MBTL1
SCHEMBL8552608 0.88 L3MBTL1 (0.35) S1PR1L3MBTL1NR1I2CYP3A4CYP2D6
SCHEMBL8552750 0.85 NR1I2 (0.46) HDAC4NR1I2CYP3A4CYP2D6
SCHEMBL8555392 0.75 L3MBTL1 (0.35) S1PR1L3MBTL1NR1I2CYP3A4CYP2D6
SCHEMBL8551725 0.74
SCHEMBL8554365 0.73 NR1I2 (0.46) HDAC4NR1I2CYP3A4CYP2D6
SCHEMBL8558789 0.71 HDAC4 (0.35) HDAC4S1PR1TSHRMAPK1L3MBTL1
SCHEMBL8687152 0.69 HDAC4 (0.34) HDAC4
SCHEMBL9087925 0.67 NR1I2 (0.45) HDAC4S1PR1NR1I2CYP3A4CYP2D6
SCHEMBL8602514 0.66 HDAC4 (0.41) HDAC4S1PR1TSHRMAPK1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed