SCHEMBL7366156

SCHEMBL7366156

CC1(C)CCCN(S(=O)(=O)c2cccc(CNCCCN3CCOCC3)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
NAMPT P43490 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL7363713 0.91 HTR6 (0.42) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL7365554 0.80 L3MBTL1 (0.47) POLBKMT2AALDH1A1GAAMAPT
SCHEMBL26620048 0.76 TSHR (0.52) SMN1; SMN2POLBALDH1A1CYP3A4CYP2D6
SCHEMBL7370397 0.75 TSHR (0.52) SMN1; SMN2POLBALDH1A1CYP3A4CYP2D6
SCHEMBL14025612 0.74 KMT2A (0.48) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL14025602 0.73 GAA (0.52) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL14025610 0.72 GAA (0.54) SMN1; SMN2MEN1KMT2AALDH1A1TDP1
SCHEMBL14492305 0.72 MEN1 (0.60) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL7363772 0.71 CYP1A2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL26620363 0.71 TSHR (0.52) SMN1; SMN2POLBALDH1A1CYP2D6MAPT

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-1200397-A1 SULFONAMIDE SUBSTITUTED BENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICAMENTS ELI LILLY AND COMPANY LIMITED (GB) 2002-05-02 EP disclosed
WO-2001004087-A1 SULFONAMIDE SUBSTITUTED BENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICAMENTS ELI LILLY AND COMPANY LIMITED (GB) 2001-01-18 WO disclosed