SCHEMBL3680628

SCHEMBL3680628

O=[N+]([O-])c1c(O)cc(I)c([N+](=O)[O-])c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
GPR35 Q9HC97 4/20 0.38
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 3/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
S100A4 P26447 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SNCA P37840 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL31087845 0.88 MEN1 (0.45) MEN1KMT2ALMNAHTTGPR35
SCHEMBL1905941 0.76 MEN1 (0.50) MEN1KMT2ALMNAHTTGPR35
SCHEMBL28335654 0.75 GPR35 (0.47) MEN1KMT2ALMNAHTTGPR35
SCHEMBL29288429 0.72 TSHR (0.41) MEN1KMT2ALMNAHTTGPR35
SCHEMBL231446 0.70 GPR35 (0.45) MEN1KMT2AGPR35TSHRALDH1A1
SCHEMBL28777971 0.70 GPR35 (0.45) MEN1KMT2ALMNAHTTGPR35
SCHEMBL11799394 0.70 GPR35 (0.50) MEN1KMT2AGPR35TSHRALDH1A1
SCHEMBL27708008 0.70 GPR35 (0.50) MEN1KMT2ALMNAHTTGPR35
SCHEMBL13834333 0.69 GPR35 (0.59) MEN1KMT2ALMNAHTTGPR35
SCHEMBL3619379 0.68 MEN1 (0.47) MEN1KMT2ALMNAHTTGPR35

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098641-B1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST JUDE PHARMACEUTICALS INC (US) 2016-04-27 EP disclosed
US-20150056160-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20100056643-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST. JUDE PHARMACEUTICALS, INC. 2010-03-04 US disclosed
US-7635722-B1 Chemical induced intracellular hyperthermia Saint Jude Pharmaceuticals, Inc. (US) 2009-12-22 US disclosed
EP-1098641-A4 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST JUDE PHARMACEUTICALS INC (US) 2003-08-27 EP disclosed
EP-1098641-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA Texas Pharmaceuticals, Inc. (US) 2001-05-16 EP disclosed
WO-2000006143-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. (US) 2000-02-10 WO disclosed