SCHEMBL5202889

SCHEMBL5202889

Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CCC(c3cn(CC(=O)N(C)C)c4ccccc34)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPN P05981 5/20 0.52
ST14 Q9Y5Y6 5/20 0.52
HGFAC Q04756 2/20 0.52
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
PLAU P00749 2/20 0.45
HTR6 P50406 1/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
MMP9 P14780 1/20 0.42
MAPK1 P28482 1/20 0.41
ADAM17 P78536 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
SCHEMBL5487349 0.80 ADAM17 (0.36) HPNST14HGFACKMT2AHTT
SCHEMBL5203062 0.74 HCRTR1 (0.49) ALDH1A1HTR6LMNAPOLBTHRB
SCHEMBL4851454 0.71 HTR6 (0.43) ALDH1A1HTR6LMNAPOLBTHRB
SCHEMBL5205820 0.70 HRH2 (0.42) KMT2ALMNA
SCHEMBL4860552 0.70 HRH2 (0.46) KMT2AALDH1A1LMNA
SCHEMBL4854486 0.70 ALDH1A1 (0.46) KMT2AALDH1A1MEN1KDM4E
SCHEMBL4851493 0.70 MEN1 (0.45) KMT2AMEN1HTR6
SCHEMBL22500546 0.70 KMT2A (0.70) HPNST14HGFACKMT2AALDH1A1
SCHEMBL22500544 0.70 KMT2A (0.70) HPNST14HGFACKMT2AALDH1A1
SCHEMBL5206637 0.70 LMNA (0.44) KMT2AMEN1LMNA

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-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed