SCHEMBL21190898

SCHEMBL21190898

BrCc1ccc(OC2CCCCC2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.48
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL21190896 0.87 THRA (0.49) CSNK2A1THRATHRBMEN1KMT2A
SCHEMBL21190864 0.84 SYK (0.43) CSNK2A1PDE4B
SCHEMBL21190904 0.83 BRD4 (0.37) CSNK2A1
SCHEMBL21190899 0.82 CSNK2A1 (0.43) CSNK2A1THRATHRBMEN1KMT2A
SCHEMBL21190894 0.80 BRD4 (0.51) CSNK2A1THRATHRBMEN1KMT2A
SCHEMBL5703607 0.79 PDE4B (0.56) RECQLPOLBPDE4B
SCHEMBL3456387 0.79 RECQL (0.60) CSNK2A1MEN1KMT2ARECQLNPSR1
SCHEMBL7360316 0.77 CSNK2A1 (0.44) CSNK2A1NPY1RNPY2RRECQLPDE4B
SCHEMBL7357909 0.77 CSNK2A1 (0.55) CSNK2A1NPY1RNPY2RRECQLPDE4B
SCHEMBL22077713 0.77 SYK (0.48) CSNK2A1NPY1RNPY2RRECQLPDE4B

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-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
US-9359548-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-06-07 US disclosed