SCHEMBL21739702

SCHEMBL21739702

Cc1ccc(F)c2c1NC(C(=O)N[C@H]1CCC[C@H](C3CNCNC3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 11/20 0.33
NSD2 O96028 1/20 0.32
CYP2C8 P10632 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1B P28222 1/20 0.32
EPHX2 P34913 2/20 0.31
NAA50 Q9GZZ1 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2B6 P20813 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
SCHEMBL22052099 1.00 SETD2 (0.33) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21740248 0.91 SETD2 (0.33) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL25038229 0.91 SETD2 (0.33) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL22051520 0.91 SETD2 (0.33) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21739579 0.89 SETD2 (0.34) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21740283 0.89 SETD2 (0.34) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21739571 0.89 SETD2 (0.34) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL22052128 0.86
SCHEMBL22052822 0.85 SETD2 (0.32) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21739618 0.85 SETD2 (0.35) SETD2NSD2CYP2C8DRD2HTR1B

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