SCHEMBL21089310

SCHEMBL21089310

CN(CCC(=O)OC(C)(C)C)C1CCC(NC2CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LSS P48449 2/20 0.32
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MLYCD O95822 1/20 0.30
BTK Q06187 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
SCHEMBL25634890 0.91 EPHX2 (0.34) EPHX2KMT2AMEN1LSSMLYCD
SCHEMBL7585222 0.81 BTK (0.41) EPHX2KDM1AMAOBKMT2AMEN1
SCHEMBL7585234 0.81 BTK (0.41) EPHX2KDM1AMAOBKMT2AMEN1
SCHEMBL21089309 0.79 CTSK (0.34) MLYCD
SCHEMBL7587089 0.73 EPHX2 (0.40) EPHX2KDM1AMAOBKMT2AEPHX1
SCHEMBL7587093 0.73 EPHX2 (0.40) EPHX2KDM1AMAOBKMT2AEPHX1
SCHEMBL10102977 0.72 BTK (0.43) KDM1AMAOBKMT2AEPHX1ALDH1A1
SCHEMBL17271531 0.72 RECQL (0.45) EPHX1ALDH1A1
SCHEMBL1495989 0.71 EPHX1 (0.49) MAOBKMT2AMEN1EPHX1ALDH1A1
SCHEMBL29951969 0.69 PHF8 (0.40) ALDH1A1

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-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed