SCHEMBL21596937

SCHEMBL21596937

Cc1cc2c(N)onc2cc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
NPC1 O15118 8/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 7/20 0.42
PKM P14618 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 6/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
KCNA3 P22001 1/20 0.37
GRM5 P41594 1/20 0.36
HPGD P15428 2/20 0.36
DHFR P00374 2/20 0.36

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
SCHEMBL21596859 0.79 TDO2 (0.44) TDO2NPC1KDM4ERAB9APKM
SCHEMBL29652518 0.79 TDO2 (0.44) TDO2NPC1KDM4ERAB9APKM
SCHEMBL21596921 0.75 PIK3CD (0.47) TDO2NPC1KDM4ERAB9APKM
SCHEMBL17427076 0.75 KDM4E (0.57) TDO2NPC1KDM4ERAB9APKM
SCHEMBL21596913 0.73 CFTR (0.35)
SCHEMBL13581443 0.73 KDM4E (0.55) TDO2NPC1KDM4ERAB9APKM
SCHEMBL30776779 0.73 KDM4E (0.55) TDO2NPC1KDM4ERAB9APKM
SCHEMBL25395443 0.72 KDM4E (0.47) TDO2NPC1KDM4ERAB9APKM
SCHEMBL25393293 0.72 KDM4E (0.44) TDO2NPC1KDM4ERAB9APKM
SCHEMBL23080058 0.71 KDM4E (0.58) TDO2NPC1KDM4ERAB9APKM

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