SCHEMBL9116324

SCHEMBL9116324

Cc1cc(C)c(N)c(C(=O)O)c1.Cc1cc(C)c2[nH]ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
KEAP1 Q14145 1/20 0.42
IKBKB O14920 10/20 0.42
CHUK O15111 9/20 0.42
METAP2 P50579 1/20 0.35
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PDPK1 O15530 1/20 0.35
MYC P01106 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL987784 0.82 KEAP1 (0.56) KDM4EKEAP1IKBKBCHUKAURKA
SCHEMBL9118277 0.80 KDM4E (0.52) KDM4EKEAP1IKBKBCHUKPDPK1
SCHEMBL29502911 0.80 KDM4E (1.00) KDM4EMETAP2CSNK2A1MYCMEN1
SCHEMBL108376 0.80 KDM4E (1.00) KDM4EMETAP2CSNK2A1MYCMEN1
SCHEMBL4798726 0.78 CYP1A2 (0.40) KDM4EIKBKBCHUKKMT2A
SCHEMBL28335692 0.74 IKBKB (0.60) KEAP1IKBKBCHUKPDPK1
SCHEMBL9117203 0.73 KEAP1 (0.62) KDM4EKEAP1IKBKBCHUKPDPK1
SCHEMBL7926770 0.72 HSD17B10 (0.47) KDM4EKEAP1IKBKBCHUKMYC
SCHEMBL11881146 0.71 KDM4E (0.79) KDM4EMETAP2CSNK2A1MYCMEN1
SCHEMBL988102 0.69 NR4A2 (0.44) KEAP1IKBKBCHUKXDHPDPK1

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-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed