SCHEMBL367174

SCHEMBL367174

CC(c1cc2c(C(=O)O)c3ccccn3c2cc1C(=O)N(C)C)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.37
PTGS2 P35354 1/20 0.36
TACR1 P25103 1/20 0.35
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
EGFR P00533 2/20 0.33
SRC P12931 1/20 0.33
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 5/20 0.31
ALDH1A1 P00352 4/20 0.31
PPARG P37231 2/20 0.31
NCOR2 Q9Y618 2/20 0.31
KDM4E B2RXH2 2/20 0.31
PABPC1 P11940 2/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
MAPK1 P28482 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31

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
SCHEMBL367175 0.77 HTR7 (0.39) IDO1PTGS2TACR1ALDH1A1
SCHEMBL367204 0.75 RORC (0.43) IDO1PTGS2TACR1FNTAFNTB
SCHEMBL366827 0.68 KMT2A (0.45) SRCMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL371112 0.67 IDO1 (0.51) IDO1PTGS2TACR1FNTAFNTB
SCHEMBL366461 0.67 HTT (0.46) IDO1PTGS2EGFRMEN1KMT2A
SCHEMBL366789 0.66 IDO1 (0.38) IDO1PTGS2TACR1FNTAFNTB
SCHEMBL366887 0.66 KDM4E (0.56) IDO1PTGS2FNTAFNTBEGFR
SCHEMBL365934 0.66 KDM4E (0.45) IDO1PTGS2FNTAFNTBEGFR
SCHEMBL365778 0.66 EGFR (0.42) IDO1PTGS2FNTAFNTBEGFR
SCHEMBL366875 0.66 EGFR (0.42) IDO1PTGS2FNTAFNTBEGFR

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