SCHEMBL28079047

SCHEMBL28079047

COc1ccc(S(=O)(=O)N2CCC(CC3CCN(Cl)CC3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.63
NPC1 O15118 1/20 0.63
PKLR P30613 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 1/20 0.63
ALDH1A1 P00352 3/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.58
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.55
TSHR P16473 2/20 0.55
CCR6 P51684 1/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.54

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
SCHEMBL28831518 0.83 SMN1; SMN2 (0.47) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL28078925 0.81 KMT2A (0.60) NPC1ALDH1A1TSHRLMNAHPGD
SCHEMBL8060759 0.80 PKM (0.64) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL23178943 0.80 PKM (0.75) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL1722721 0.79 PKM (1.00) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL31315853 0.79 PKM (1.00) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL7471529 0.79 PKM (0.73) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL8200209 0.77 PKM (0.60) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL8207642 0.77 PKM (0.60) PKMNPC1PKLRRAB9ASMN1; SMN2
SCHEMBL22032745 0.76 SMN1; SMN2 (0.60) PKMNPC1PKLRRAB9ASMN1; SMN2

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
CN-105873913-A Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins 得克萨斯系统大学评议会 2016-08-17 CN disclosed