SCHEMBL28629528

SCHEMBL28629528

O=C(O)Nc1ncccc1COP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
GAA P10253 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
FDPS P14324 3/20 0.39
PPIA P62937 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MME P08473 1/20 0.37
ESR1 P03372 1/20 0.37
PTGS1 P23219 1/20 0.37
ACP1 P24666 1/20 0.37
PDE4A P27815 1/20 0.37
P2RX1 P51575 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL30398474 1.00 HTT (0.40) HTTGAANPC1RAB9AFDPS
SCHEMBL23671634 0.82 FDPS (0.40) HTTGAAFDPSMAPTESR1
SCHEMBL3364009 0.78 MME (0.52) HTTNPC1RAB9AKMT2AMAPT
SCHEMBL4344801 0.77 NPC1 (0.44) HTTGAANPC1RAB9AKMT2A
SCHEMBL19306197 0.75 RAB9A (0.43) HTTGAANPC1RAB9APPIA
SCHEMBL28019213 0.74 PKM (0.45) HTTNPC1RAB9APPIAKMT2A
SCHEMBL28018732 0.74 GRM5 (0.52) HTTNPC1RAB9AKMT2AMAPT
SCHEMBL7932473 0.73 RAB9A (0.44) HTTGAANPC1RAB9AKMT2A
SCHEMBL2558369 0.73 NPC1 (0.41) HTTGAANPC1RAB9APPIA
SCHEMBL2693858 0.72 SMN1; SMN2 (0.43) HTTGAANPC1RAB9APPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283647-A Prodrug modulators that integrate stress pathways 卡里科生命科学有限责任公司 2023-06-23 CN disclosed
CN-113423685-B Prodrug modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-11-29 CN disclosed
CN-113423685-A Prodrug modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-09-21 CN disclosed