SCHEMBL366209

SCHEMBL366209

CC(=O)c1ccc2c(C(=O)NS(=O)(=O)Cc3ccccc3)c3ccccn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
P4HTM Q9NXG6 1/20 0.42
PTPN1 P18031 1/20 0.40
PTGER4 P35408 2/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
G6PD P11413 1/20 0.37
PABPC1 P11940 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
HTR7 P34969 1/20 0.35
GAA P10253 1/20 0.35
SCN9A Q15858 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL366382 0.93 HPGD (0.38) HPGDP4HTMPTPN1PTGER4MAPT
SCHEMBL366059 0.90 S1PR3 (0.38) HPGDP4HTMMAPTKMT2AALDH1A1
SCHEMBL365440 0.89 MAPT (0.41) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL366252 0.86 ALDH1A1 (0.39) HPGDPTPN1PTGER4MAPTMEN1
SCHEMBL366977 0.85 SCN9A (0.46) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL364815 0.84 PTPN1 (0.39) HPGDPTPN1PTGER4MAPTMEN1
SCHEMBL366210 0.83 HPGD (0.47) HPGDP4HTMPTPN1PTGER4MAPT
SCHEMBL365519 0.79 KMT2A (0.45) HPGDMAPTMEN1KMT2AGAA
SCHEMBL365498 0.79 KMT2A (0.45) HPGDP4HTMPTPN1PTGER4MAPT
SCHEMBL366875 0.78 EGFR (0.42) HPGDMAPTMEN1KMT2AALDH1A1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed