SCHEMBL5048966

SCHEMBL5048966

CCOC(CN(C(=O)c1c(F)cccc1F)c1ncc(-c2cccc(C(F)(F)F)c2)s1)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.42
IL2 P60568 1/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN1 Q05586 5/20 0.40
HDAC6 Q9UBN7 1/20 0.39
CTSA P10619 1/20 0.39
RORB Q92753 2/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8237254 0.70 HSD17B1 (0.54) GRIN2BIL2HDAC6RORBALDH1A1
SCHEMBL5051437 0.69 IL2 (0.66) IL2MEN1KMT2AHDAC6RORB
SCHEMBL5048874 0.67 IL2 (0.47) IL2MEN1MAPTKMT2ARORB
SCHEMBL5048822 0.65 HDAC6 (0.56) IL2HDAC6RORBALDH1A1
SCHEMBL6254123 0.64 NTRK1 (0.38) IL2HDAC6ALDH1A1SMN1; SMN2
SCHEMBL1198629 0.64 MEN1 (0.49) GRIN2BMEN1MAPTKMT2AGRIN1
SCHEMBL1764981 0.64 ALDH1A1 (0.48) HDAC6ALDH1A1GAAATMSMN1; SMN2
SCHEMBL1198760 0.63 LOXL2 (0.48) MEN1MAPTKMT2AHDAC6ALDH1A1
SCHEMBL23794687 0.62 MAPT (0.64) GRIN2BMEN1MAPTKMT2AGRIN1
SCHEMBL594373 0.62 KDR (0.50) IL2MEN1KMT2AHDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed