SCHEMBL3678595

SCHEMBL3678595

CC(=O)C(C#N)=NNc1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
LMNA P02545 3/20 0.70
HTT P42858 2/20 0.70
RAPGEF3 O95398 11/20 0.65
RAPGEF4 Q8WZA2 4/20 0.65
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
CISD1 Q9NZ45 1/20 0.64
GAA P10253 3/20 0.63
ALB P02768 1/20 0.60
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GFER P55789 1/20 0.50
ALOX12 P18054 1/20 0.49

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
SCHEMBL9867790 1.00 MAPT (0.70) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9868037 0.87 MAPT (0.76) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9865909 0.87 MAPT (0.76) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9868710 0.86 MAPT (0.67) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9868712 0.86 MAPT (0.67) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL38652827 0.82 MEN1 (0.64) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31597668 0.82 MEN1 (0.64) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL519291 0.80 MAPT (0.72) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20523642 0.79 RAPGEF3 (1.00) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9067633 0.79 MAPT (0.70) MAPTSMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150056160-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. 2015-02-26 US claimed
EP-1098641-A4 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST JUDE PHARMACEUTICALS INC (US) 2003-08-27 EP claimed
EP-1098641-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA Texas Pharmaceuticals, Inc. (US) 2001-05-16 EP claimed
WO-2000006143-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. (US) 2000-02-10 WO claimed
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
EP-0412211-A1 Cancer therapy system THERAPEUTICAL SYSTEMS CORPORATION (US) 1991-02-13 EP disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 US disclosed