SCHEMBL21596930

SCHEMBL21596930

COc1cc(Br)cc2noc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.41
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIM1 P11309 3/20 0.35
MAP3K7 O43318 2/20 0.34
MAP3K9 P80192 2/20 0.34
MAP3K11 Q16584 2/20 0.34
AURKB Q96GD4 2/20 0.34
APP P05067 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CA4 P22748 1/20 0.33
SLC2A1 P11166 1/20 0.33
ERN1 O75460 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL21596936 0.76 ALDH1A1 (0.33) ALDH1A1POLBCA4
SCHEMBL21596910 0.75 CA4 (0.30) CA4
SCHEMBL21596927 0.75 FYN (0.41) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL21596934 0.75 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBCA4
SCHEMBL21608946 0.73 KAT7 (0.36) NQO2MAPTRAB9AMEN1KMT2A
SCHEMBL21596916 0.73 MLYCD (0.32) ALDH1A1CA4TSHR
SCHEMBL21596932 0.72 DCPS (0.51) NQO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL21596912 0.70 FYN (0.46) MAPTALDH1A1PIM1AURKBMAP4K2
SCHEMBL21596911 0.70 NPC1 (0.48) MAPTRAB9AALDH1A1KDM4EPOLB
SCHEMBL18305802 0.70 DCPS (0.57) NQO2MAPTMEN1KMT2AALDH1A1

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-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed