SCHEMBL21596935

SCHEMBL21596935

CCOc1cccc2noc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
USP2 O75604 2/20 0.44
CASP1 P29466 2/20 0.44
APAF1 O14727 1/20 0.44
THRB P10828 1/20 0.44
BRCA1 P38398 1/20 0.44
CASP7 P55210 1/20 0.44
TLR8 Q9NR97 1/20 0.43
PABPC1 P11940 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DHFR P00374 1/20 0.39
DCPS Q96C86 1/20 0.39
GRK6 P43250 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 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
SCHEMBL21596932 0.81 DCPS (0.51) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL21596931 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1782232 0.74 KDR (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21596900 0.71 ALDH1A1 (0.44) ALDH1A1KDM4ETLR8DHFRLMNA
SCHEMBL8294968 0.71 DCPS (0.69) DHFRDCPS
SCHEMBL21596923 0.71 ELANE (0.35) ALDH1A1KDM4EMEN1KMT2ADHFR
SCHEMBL15293089 0.70 DCPS (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7930788 0.68 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21596915 0.68 PARP1 (0.41) GAADHFR
SCHEMBL21596942 0.68 BACE1 (0.40) CA1CA2SMN1; SMN2

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