SCHEMBL22052079

SCHEMBL22052079

CC(=O)N1CCC(NC(=O)C2Cc3cccc(C)c3N2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
EPHX2 P34913 8/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
EPHX1 P07099 1/20 0.39
CRBN Q96SW2 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
BTK Q06187 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL21739401 0.87 KMT2A (0.51) KMT2AALDH1A1MEN1RAB9A
SCHEMBL21740213 0.86 MTNR1A (0.44) KMT2AEPHX1SMYD3RAB9ABTK
SCHEMBL21739921 0.84 EPHX1 (0.49) KMT2AEPHX2MEN1EPHX1RAB9A
SCHEMBL21739398 0.84 SETD2 (0.49) KMT2AALDH1A1RAB9A
SCHEMBL21739406 0.84 SETD2 (0.49) KMT2AALDH1A1RAB9A
SCHEMBL21739405 0.84 CCR8 (0.42) KMT2AEPHX2SMYD3
SCHEMBL21739907 0.83 SMYD3 (0.42) KMT2AEPHX2ALDH1A1MEN1EPHX1
SCHEMBL21739169 0.83 POLB (0.41) KMT2AEPHX1SMYD3RAB9A
SCHEMBL21739908 0.82 SMYD3 (0.39) KMT2AALDH1A1EPHX1SMYD3SMN1; SMN2
SCHEMBL21739422 0.81 PTGES (0.42) KMT2AEPHX1SMYD3BTK

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
WO-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 WO disclosed