SCHEMBL18598249

SCHEMBL18598249

C=C1NC(C)/C(=C/c2cnc(SC)nc2)C(=C)N1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
KDM4E B2RXH2 8/20 0.52
NPSR1 Q6W5P4 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 3/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 6/20 0.36
RECQL P46063 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14680210 0.68 MAPT (1.00) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL29714346 0.55 MEN1 (0.44) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL3971277 0.55 MEN1 (0.44) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL29714341 0.55 MEN1 (0.44) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL22174938 0.54 KMT2A (0.43) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL29990662 0.54 KMT2A (0.43) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL12631830 0.54 AURKA (0.46) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL1356072 0.54 AURKA (0.46) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL19453382 0.53 KDM4E (0.35) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL22184578 0.53 KMT2A (0.42) MAPTKDM4ENPSR1MEN1KMT2A

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-3138838-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2017-03-08 EP disclosed