SCHEMBL367746

SCHEMBL367746

CS(=O)(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
AGTR1 P30556 7/20 0.43
IDO1 P14902 2/20 0.43
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
PTGS2 P35354 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39

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
SCHEMBL367706 0.89 BAZ2B (0.41) EGFRBRD9BAZ2BBAZ2APTGS2
SCHEMBL366461 0.87 HTT (0.46) EGFRAGTR1IDO1PTGS2LMNA
SCHEMBL365647 0.86 IDO1 (0.43) EGFRAGTR1IDO1PTGS2LMNA
SCHEMBL365825 0.86 IDO1 (0.48) IDO1BRD9BAZ2BBAZ2APTGS2
SCHEMBL365146 0.82 IDO1 (0.40) EGFRAGTR1IDO1PTGS2KDM4E
SCHEMBL366132 0.81 ALDH1A1 (0.38) EGFRAGTR1IDO1PTGS2KDM4E
SCHEMBL366783 0.79 SCN9A (0.54)
SCHEMBL365934 0.79 KDM4E (0.45) EGFRAGTR1IDO1PTGS2LMNA
SCHEMBL366887 0.79 KDM4E (0.56) EGFRAGTR1IDO1BAZ2BBAZ2A
SCHEMBL365721 0.78 ALDH1A1 (0.45) EGFRIDO1BRD9BAZ2BBAZ2A

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed