SCHEMBL2774077

SCHEMBL2774077

COC(=O)Cc1c(C)c(S(=O)(=O)c2cc(Cl)ccc2Cl)n2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
CNR2 P34972 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
PTGDR Q13258 1/20 0.36
CNR1 P21554 1/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGS2 P35354 1/20 0.35
AKR1C3 P42330 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 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
SCHEMBL2770449 0.85 ACLY (0.44) POLBMEN1KMT2AMAPTCNR2
SCHEMBL2770023 0.80 HCRTR1 (0.42) POLBMAPTCNR2RXFP1NPC1
SCHEMBL2770132 0.73 ABCB1 (0.44) PTGDR2GAAPTGDRFLT1FLT4
SCHEMBL2769434 0.72 PTGDR2 (0.41) PTGDR2PTGDRCNR1PTGS2KDM4E
SCHEMBL2769429 0.72 EGFR (0.43) MEN1KMT2AMAPTPTGDR2CNR2
SCHEMBL4636277 0.71 HCRTR1 (0.43) POLBMEN1KMT2AMAPTPTGDR2
SCHEMBL2771980 0.69 GAA (0.51) POLBMEN1KMT2AMAPTRXFP1
SCHEMBL2770435 0.65 ALDH1A1 (0.40) MEN1KMT2APTGDR2GAAPTGDR
SCHEMBL15207967 0.63 PTGDR2 (0.80) PTGDR2
SCHEMBL4635636 0.63 HCRTR1 (0.52) POLBMEN1KMT2AMAPTPTGDR2

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
EP-1910357-B1 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LTD (GB) 2010-04-14 EP disclosed