SCHEMBL21190896

SCHEMBL21190896

OCc1ccc(OC2CCCCC2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
CSNK2A1 P68400 2/20 0.48
RECQL P46063 1/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL21190898 0.87 CSNK2A1 (0.48) THRATHRBCSNK2A1RECQLMEN1
SCHEMBL8846224 0.85 RECQL (0.55) CSNK2A1RECQLALDH1A1TSHRPOLB
SCHEMBL21190866 0.84 IKBKE (0.46) CSNK2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL15903786 0.83 CSNK2A1 (0.47) CSNK2A1RECQLALDH1A1TSHRPDE4A
SCHEMBL21190899 0.82 CSNK2A1 (0.43) THRATHRBCSNK2A1RECQLMEN1
SCHEMBL15904183 0.81 CSNK2A1 (0.48) CSNK2A1RECQLALDH1A1TSHRPDE4A
SCHEMBL10088511 0.81 CSNK2A1 (0.72) CSNK2A1RECQLALDH1A1TSHRMAPT
SCHEMBL3721110 0.80 THRA (0.41) THRATHRBCSNK2A1MEN1KMT2A
SCHEMBL21190894 0.80 BRD4 (0.51) THRATHRBCSNK2A1MEN1KMT2A
SCHEMBL2958828 0.79 RECQL (0.60) RECQLPOLBPDE4APDE4BPDE4C

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