SCHEMBL7789524

SCHEMBL7789524

C/C=C1/CN(C(=O)Nc2c(F)cccc2F)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 3/20 0.38
HDAC6 Q9UBN7 8/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NAMPT P43490 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
KDM1A O60341 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7795271 0.80 NPC1 (0.47) TAS1R3TAS1R1TAS1R2HDAC6HDAC3
SCHEMBL7801296 0.76 HDAC6 (0.41) TAS1R3TAS1R1TAS1R2HDAC6HDAC3
SCHEMBL7797525 0.76 NAMPT (0.50) HDAC6HDAC3HDAC1HDAC2NAMPT
SCHEMBL7796483 0.76 HDAC6 (0.47) HDAC6HDAC1MAPT
SCHEMBL7796320 0.75 NAMPT (0.42) HDAC6HDAC3HDAC1HDAC2NAMPT
SCHEMBL7796324 0.74 HDAC6 (0.63) HDAC6HDAC3HDAC1HDAC2NAMPT
SCHEMBL7796321 0.74 HDAC6 (0.50) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL7796971 0.74 ALDH1A1 (0.43) HDAC6HDAC3HDAC1HDAC2NAMPT
SCHEMBL7795811 0.74 POLB (0.40) HDAC6HDAC1KDM4EMAPTALDH1A1
SCHEMBL7796728 0.73 HDAC1 (0.53) HDAC6HDAC3HDAC1HDAC2RAB9A

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
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed