SCHEMBL8181127

SCHEMBL8181127

CCC(N1Cc2ccccc2C1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.39
MMP3 P08254 2/20 0.37
MMP8 P22894 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
MMP2 P08253 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 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
SCHEMBL8186473 0.85 HTR2C (0.39) KMT2AMEN1L3MBTL1HTR1AHTR7
SCHEMBL7647993 0.83 NAMPT (0.36) KMT2AMEN1TSHRMMP3MMP8
SCHEMBL7652613 0.78 MEN1 (0.34) KMT2AMEN1MAPT
SCHEMBL7650642 0.77 NAPRT (0.40) HSD17B10PKMHTR1AHTR7LMNA
SCHEMBL7966114 0.76 KMT2A (0.53) KMT2AMEN1MMP8MMP2LMNA
SCHEMBL7647370 0.73 TSHR (0.47) KMT2AMEN1TSHRMAPK1HSD17B10
SCHEMBL1899031 0.68 TP53 (0.52) KMT2ATSHRMAPK1HSD17B10MMP8
SCHEMBL2632802 0.65 MEN1 (0.50) KMT2AMEN1MAPT
SCHEMBL19201578 0.64 MMP1 (0.50) KMT2AMEN1TSHRMAPK1HSD17B10
SCHEMBL24817130 0.64 SMN1; SMN2 (0.52) KMT2AMEN1HSD17B10L3MBTL1MAPT

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
WO-2000000472-A1 5-HT7 RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO disclosed