SCHEMBL26437703

SCHEMBL26437703

c1cn2ccc(N3CCC(OCCOC4CCCCO4)C3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
QPCT Q16769 2/20 0.33
P2RX3 P56373 3/20 0.32
ACACB O00763 1/20 0.32
AOC3 Q16853 1/20 0.32
ATR Q13535 1/20 0.32
MET P08581 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
TGFBR1 P36897 1/20 0.31
PLK1 P53350 1/20 0.31
F10 P00742 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
SCHEMBL10174978 0.79 KDM4C (0.46) HRH3KDM4CL3MBTL1NPC1RAB9A
SCHEMBL3324022 0.75 HRH3 (0.46) HRH3L3MBTL1NPC1QPCTACACB
SCHEMBL26437360 0.75 HRH3 (0.54) HRH3QPCT
SCHEMBL22182497 0.70 MET (0.53) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL17888605 0.69 KDM4C (0.45) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL26437457 0.69 HRH3 (0.49) HRH3QPCTAOC3F10
SCHEMBL26437436 0.69 HRH3 (0.49) HRH3QPCTAOC3F10
SCHEMBL17931454 0.69 MAPT (0.45) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL17888643 0.69 MEN1 (0.41) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL26438297 0.69 HRH3 (0.47) HRH3QPCT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066204-A1 SIK INHIBITOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2023-04-27 WO disclosed