SCHEMBL21740347

SCHEMBL21740347

Cc1cccc2c1NC(C(=O)N[C@H]1CC[C@@H](NC(=O)CCN)CC1)C2

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 0.50
NSD2 O96028 1/20 0.50
SETD2 Q9BYW2 1/20 0.50

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
SCHEMBL21739140 0.96 SMYD3 (0.46) SMYD3NSD2SETD2
SCHEMBL21739138 0.93 SMYD3 (0.43) SMYD3NSD2SETD2
SCHEMBL21739129 0.93 SMYD3 (0.43) SMYD3NSD2SETD2
SCHEMBL22051516 0.88 SMYD3 (0.42) SMYD3NSD2SETD2
SCHEMBL22053226 0.88 SMYD3 (0.39) SMYD3NSD2SETD2
SCHEMBL21740334 0.87 SMYD3 (0.39) SMYD3NSD2SETD2
SCHEMBL21740159 0.87 SMYD3 (0.40) SMYD3NSD2SETD2
SCHEMBL21739941 0.87 SMYD3 (0.49) SMYD3NSD2SETD2
SCHEMBL21740190 0.87 SMYD3 (0.49) SMYD3NSD2SETD2
SCHEMBL21739511 0.86 SMYD3 (0.46) SMYD3NSD2SETD2

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