SCHEMBL21739635

SCHEMBL21739635

Cc1ccc(C)c2c1CC(C(=O)N[C@H]1CC[C@H](N)CC1)N2

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 12/20 0.48

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
SCHEMBL21739672 0.79 MTNR1A (0.34) SMYD3
SCHEMBL21739657 0.78 EPHX2 (0.40)
SCHEMBL21739180 0.78 SMYD3 (0.46) SMYD3
SCHEMBL21739495 0.72 SMYD3 (0.55) SMYD3
SCHEMBL8326659 0.72 KDM4E (0.45)
SCHEMBL21740213 0.71 MTNR1A (0.44) SMYD3
SCHEMBL21739907 0.71 SMYD3 (0.42) SMYD3
SCHEMBL21739921 0.69 EPHX1 (0.49)
SCHEMBL21739422 0.69 PTGES (0.42) SMYD3
SCHEMBL19710084 0.68 SMYD3 (0.60) 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