SCHEMBL19187470

SCHEMBL19187470

CCCNc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccc(Cc5ccc(S(=O)(=O)Nc6ccc(CC(C)C)cc6)cc5C(=O)N5CCN(c6ccccc6OC)CC5)cc4OC)CC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.45
PABPC1 P11940 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HCRTR1 O43613 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL7605178 0.88 PKM (0.61) PKMHTTALDH1A1MAPTGFER
SCHEMBL11877 0.87 PKM (0.62) PKMHTTALDH1A1MAPTGFER
SCHEMBL7602391 0.81 PKM (0.62) PKMHTTALDH1A1MAPTGFER
SCHEMBL12114 0.81 PABPC1 (0.66) PKMHTTALDH1A1MAPTGFER
SCHEMBL14802 0.80 PKM (0.60) PKMHTTALDH1A1MAPTGFER
SCHEMBL12597657 0.79 PKM (0.63) PKMHTTALDH1A1MAPTGFER
SCHEMBL14840 0.78 PKM (0.62) PKMHTTALDH1A1MAPTGFER
SCHEMBL12112 0.78 PKM (0.76) PKMHTTALDH1A1MAPTGFER
SCHEMBL14809 0.78 ALDH1A1 (0.67) PKMHTTALDH1A1MAPTGFER
SCHEMBL7602357 0.78 PKM (0.57) PKMHTTALDH1A1MAPTGFER

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
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed