SCHEMBL19930879

SCHEMBL19930879

CNC1C=C(c2cc(SC)ccc2OCC2CC2)C=C1Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.34
P2RX3 P56373 1/20 0.32
C5AR1 P21730 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
KHK P50053 2/20 0.31
TACR1 P25103 1/20 0.31
BRD4 O60885 4/20 0.31
EP300 Q09472 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
RIPK1 Q13546 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
SCHEMBL19931105 0.83 BRD4 (0.35) P2RX3BRD4EP300
SCHEMBL25043121 0.80 BRD4 (0.34) P2RX3BRD4EP300
SCHEMBL19930852 0.74 BRD4 (0.32) BRD4EP300
SCHEMBL19930893 0.74 BRD4 (0.35) BRD4EP300PDE4B
SCHEMBL19931045 0.73 PDE4A (0.32) P2RX3BRD4EP300PDE4APDE4B
SCHEMBL19930750 0.73 BRD4 (0.36) C5AR1BRD4EP300
SCHEMBL19930964 0.73 BRD4 (0.33) BRD4EP300PDE4B
SCHEMBL19931222 0.73 BRD4 (0.33) BRD4EP300PDE4APDE4BPDE4C
SCHEMBL19930995 0.72 BRD4 (0.34) BRD4EP300PDE4APDE4BPDE4C
SCHEMBL19930937 0.71 BRD4 (0.36) BRD4

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
EP-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 EP disclosed