SCHEMBL21740213

SCHEMBL21740213

CC(=O)N[C@H]1CC[C@H](NC(=O)C2Cc3cccc(C)c3N2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
SMYD3 Q9H7B4 2/20 0.42
BTK Q06187 1/20 0.37
DRD2 P14416 1/20 0.37
EPHX1 P07099 1/20 0.36
KDM1A O60341 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL21739907 0.90 SMYD3 (0.42) SMYD3EPHX1KMT2ANPC1RAB9A
SCHEMBL21739921 0.89 EPHX1 (0.49) EPHX1KMT2ANPC1RAB9A
SCHEMBL21739422 0.88 PTGES (0.42) SMYD3BTKDRD2EPHX1KMT2A
SCHEMBL21739169 0.88 POLB (0.41) MTNR1AMTNR1BSMYD3EPHX1KDM1A
SCHEMBL25040289 0.86 SSTR4 (0.42) SMYD3KMT2ARAB9A
SCHEMBL21739908 0.86 SMYD3 (0.39) MTNR1AMTNR1BSMYD3EPHX1KDM1A
SCHEMBL21739715 0.86 SMYD3 (0.39) MTNR1AMTNR1BSMYD3DRD2EPHX1
SCHEMBL22052079 0.86 KMT2A (0.42) SMYD3BTKEPHX1KMT2ARAB9A
SCHEMBL21740209 0.86 SMYD3 (0.39) SMYD3DRD2EPHX1KMT2A
SCHEMBL21740347 0.85 SMYD3 (0.50) SMYD3

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 2 patents. 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
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed