SCHEMBL17090309

SCHEMBL17090309

CCOc1cccc(NC[C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
MEF2D Q14814 2/20 0.41
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 1/20 0.38
GAA P10253 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
RECQL P46063 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL13565482 1.00 HDAC4 (0.41) HDAC4MEF2DALDH1A1LMNASMN1; SMN2
SCHEMBL17090000 0.91 NR1H4 (0.40) MAPTRAB9AMEN1NPC1KMT2A
SCHEMBL13565132 0.91 NR1H4 (0.40) MAPTRAB9AMEN1NPC1KMT2A
SCHEMBL17090307 0.91 THRB (0.42) ALDH1A1LMNAMAPTRAB9AMEN1
SCHEMBL13565621 0.91 THRB (0.42) ALDH1A1LMNAMAPTRAB9AMEN1
SCHEMBL13565615 0.89 F10 (0.37) HDAC4MEF2DALDH1A1LMNAMAPT
SCHEMBL17090308 0.89 F10 (0.37) HDAC4MEF2DALDH1A1LMNAMAPT
SCHEMBL11936203 0.89 CNR2 (0.39) HDAC4MEF2DALDH1A1LMNASMN1; SMN2
SCHEMBL13565765 0.88 F10 (0.36) HDAC4MEF2DALDH1A1LMNASMN1; SMN2
SCHEMBL17090090 0.88 TP53 (0.43) LMNASMN1; SMN2PKMMAPTRAB9A

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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed