SCHEMBL22280474

SCHEMBL22280474

Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
GRM5 P41594 4/20 0.51
CLPP Q16740 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 4/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL22280317 0.92 FAAH (0.51) HDAC4HDAC6GRM5
SCHEMBL29523313 0.91 HDAC4 (0.54) HDAC4HDAC6GRM5CLPPRAB9A
SCHEMBL29523752 0.90 HDAC4 (0.53) HDAC4HDAC6GRM5CLPPRAB9A
SCHEMBL19472882 0.86 SPHK2 (0.53) GRM5
SCHEMBL192613 0.85 ALDH1A1 (0.64) HDAC4HDAC6GRM5CLPPRAB9A
SCHEMBL22280436 0.85 ALDH1A1 (0.64) HDAC4HDAC6GRM5CLPPRAB9A
SCHEMBL5769537 0.85 ALDH1A1 (0.64) HDAC4HDAC6GRM5CLPPRAB9A
SCHEMBL29523421 0.85 HTT (0.52) HDAC4HDAC6GRM5CLPPRAB9A
SCHEMBL29523364 0.85 HTT (0.52) HDAC4HDAC6GRM5CLPPRAB9A
SCHEMBL193106 0.84 GRM5 (0.71) HDAC4HDAC6GRM5CLPPRAB9A

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed