SCHEMBL21596938

SCHEMBL21596938

COCc1ccc2c(N)onc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAOA P21397 1/20 0.37
DYRK1A Q13627 1/20 0.37
SLC22A12 Q96S37 1/20 0.33
CA2 P00918 1/20 0.33
BAD Q92934 1/20 0.32
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOS1 P29475 3/20 0.31
NOS3 P29474 2/20 0.31
SYK P43405 1/20 0.31
KAT7 O95251 1/20 0.30
KAT6A Q92794 1/20 0.30
RET P07949 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
SCHEMBL8947000 0.75 ACHE (0.43) LMNATP53CA2ALDH1A1
SCHEMBL21596776 0.74 LMNA (0.40) LMNATP53MAOADYRK1ACA2
SCHEMBL21596945 0.73 LMNA (0.35) LMNAALDH1A1
SCHEMBL21596936 0.72 ALDH1A1 (0.33) LMNAALDH1A1KAT7KAT6A
SCHEMBL21596940 0.72 ENPP2 (0.45) LMNAALDH1A1
SCHEMBL15922137 0.71 KMT2A (0.41) LMNAMAOADYRK1AALDH1A1
SCHEMBL13036359 0.70 KCNJ1 (0.49) LMNATP53ALDH1A1
SCHEMBL2144895 0.68 BACE1 (0.42) ALDH1A1
SCHEMBL13765046 0.68 MAPT (0.51) LMNATP53ALDH1A1
SCHEMBL15732195 0.67 MAOA (0.45) LMNATP53MAOADYRK1ASLC22A12

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