SCHEMBL4432287

SCHEMBL4432287

COc1ccc(CCC(N[S+]([O-])C(C)(C)C)c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
MAPK1 P28482 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 5/20 0.45
MITF O75030 2/20 0.45
LMNA P02545 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GPR35 Q9HC97 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.43
CCR3 P51677 1/20 0.43
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4440361 0.88 MEN1 (0.53) KMT2AMEN1MAPK1L3MBTL1MAPT
SCHEMBL4936269 0.78 FAAH (0.41) MAPK1L3MBTL1MAPTCNR1NPSR1
SCHEMBL15807215 0.77 NPSR1 (0.37) MAPK1L3MBTL1CNR1CNR2NPSR1
SCHEMBL4428027 0.77 CASR (0.48) KMT2AMEN1KDM4EPOLBHTT
SCHEMBL22893654 0.75 L3MBTL1 (0.46) KMT2AMEN1MAPK1L3MBTL1MAPT
SCHEMBL8032599 0.75 MEN1 (0.38) KMT2AMEN1LMNAALDH1A1CYP2D6
SCHEMBL23243763 0.75 SLC6A2 (0.41) KMT2AMEN1MAPK1L3MBTL1MAPT
SCHEMBL23243764 0.75 SLC6A2 (0.41) KMT2AMEN1MAPK1L3MBTL1MAPT
SCHEMBL23243762 0.75 SLC6A2 (0.41) KMT2AMEN1MAPK1L3MBTL1MAPT
SCHEMBL29445320 0.75 SLC6A2 (0.41) KMT2AMEN1MAPK1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed