SCHEMBL21739348

SCHEMBL21739348

Cc1ccc(F)c2cc(C(=O)NS)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.54
SETD2 Q9BYW2 19/20 0.51
NSD2 O96028 4/20 0.50
CYP2C8 P10632 1/20 0.47
DRD2 P14416 1/20 0.47
HTR1B P28222 1/20 0.47
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43

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
SCHEMBL21739280 0.86 HRH4 (0.56) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL25039711 0.86 HRH4 (0.56) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL21725077 0.81 HRH4 (0.59) HRH4SETD2NSD2
SCHEMBL30056140 0.81 HRH4 (0.59) HRH4SETD2NSD2
SCHEMBL21724765 0.80 HRH4 (0.58) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL25040426 0.79 SETD2 (0.60) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL26097856 0.79 SETD2 (0.60) HRH4SETD2NSD2CYP2C8DRD2
SCHEMBL25039576 0.75 SETD2 (0.53) SETD2NSD2CYP2D6
SCHEMBL25039473 0.75 SETD2 (0.67) HRH4SETD2NSD2
SCHEMBL21724772 0.75 HRH4 (0.53) HRH4SETD2NSD2

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-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed