SCHEMBL8322220

SCHEMBL8322220

COC(=O)c1cc2c(I)ccc(C)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
XDH P47989 3/20 0.44
CYP1A2 P05177 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
NR4A2 P43354 1/20 0.39
ULK1 O75385 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 2/20 0.36
ALPL P05186 2/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
NGFR P08138 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
SETD2 Q9BYW2 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
SCHEMBL8318563 0.87 GLA (0.49) GLAGAAXDHCYP1A2HRH4
SCHEMBL8320394 0.82 GLA (0.45) GLAGAAXDHCYP1A2HRH4
SCHEMBL8320971 0.82 KDM4E (0.59) GLAGAAXDHCYP1A2HRH4
SCHEMBL8324052 0.82 XDH (0.55) GLAGAAXDHCYP1A2HRH4
SCHEMBL8324172 0.81 GLA (0.44) GLAGAAXDHCYP1A2HRH4
SCHEMBL8317583 0.79 GLA (0.43) GLAGAAXDHCYP1A2HRH4
SCHEMBL8326994 0.78 GAA (0.42) GLAGAAXDHCYP1A2HRH4
SCHEMBL20604977 0.78 KDM4E (0.57) GLAGAAXDHCYP1A2ULK1
SCHEMBL8325051 0.77 XDH (0.51) GLAGAAXDHCYP1A2KDM4E
SCHEMBL8318131 0.77 GAA (0.44) GLAGAAXDHCYP1A2ULK1

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
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed