SCHEMBL8324052

SCHEMBL8324052

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.55
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
NR4A2 P43354 2/20 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
ABL1 P00519 2/20 0.37
SYK P43405 1/20 0.36
MAPT P10636 1/20 0.36
SRC P12931 1/20 0.36
ALPL P05186 1/20 0.36
ALDH1A1 P00352 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) XDHGLAGAACYP1A2HRH4
SCHEMBL28459983 0.85 ALDH1A1 (0.46) XDHGLAGAAKDM4EHPGD
SCHEMBL22620603 0.84 XDH (0.50) XDHGLAGAACYP1A2HRH4
SCHEMBL30184708 0.84 XDH (0.50) XDHGLAGAACYP1A2NR4A2
SCHEMBL27641439 0.83 KDM4E (0.47) GAAHRH4KDM4EHPGDMAPT
SCHEMBL8320394 0.82 GLA (0.45) XDHGLAGAACYP1A2HRH4
SCHEMBL8320971 0.82 KDM4E (0.59) XDHGLAGAACYP1A2HRH4
SCHEMBL8322220 0.82 GLA (0.45) XDHGLAGAACYP1A2HRH4
SCHEMBL8324172 0.81 GLA (0.44) XDHGLAGAACYP1A2HRH4
SCHEMBL8317583 0.79 GLA (0.43) XDHGLAGAACYP1A2HRH4

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