SCHEMBL9502634

SCHEMBL9502634

CC(C)COc1cccc(CNC(C)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
PKM P14618 3/20 0.49
GAA P10253 3/20 0.49
FAAH O00519 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43

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
SCHEMBL9502196 0.76 CYP2D6 (0.47) LMNAPKMGAAALDH1A1MEN1
SCHEMBL9504119 0.73 CYP2D6 (0.44) LMNAPKMGAAALDH1A1MEN1
SCHEMBL12726868 0.72 CYP2D6 (0.76) LMNAPKMGAAALDH1A1KMT2A
SCHEMBL9501073 0.69 GAA (0.59) LMNAPKMGAAALDH1A1HTT
SCHEMBL10386225 0.69 ALDH1A1 (0.45) LMNAPKMGAAALDH1A1MEN1
SCHEMBL9502176 0.68 KDM4E (0.48) LMNAPKMGAAALDH1A1HTT
SCHEMBL9502157 0.68 GPBAR1 (0.47) LMNAGAAALDH1A1HTTMEN1
SCHEMBL3936533 0.67 LMNA (0.61) LMNAPKMGAAALDH1A1HTT
SCHEMBL1350520 0.67 LMNA (0.61) LMNAPKMGAAALDH1A1HTT
SCHEMBL1350186 0.66 MEN1 (0.73) LMNAPKMGAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP disclosed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US disclosed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP disclosed