SCHEMBL25639997

SCHEMBL25639997

COC(=O)[C@H](C)COc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TSHR P16473 2/20 0.45
▸ PKM P14618 1/20 0.42
▸ PSMB5 P28074 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ P2RX3 P56373 5/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ ESRRB O95718 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL25268440 0.83 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ATSHRPKM
SCHEMBL25214723 0.83 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ATSHRPKM
Hydrochloric Acid SCHEMBL25219926 0.82 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ATSHRPKM
Hydrochloric Acid SCHEMBL25273039 0.82 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ATSHRPKM
SCHEMBL8431597 0.81 KMT2A (0.46) SMN1; SMN2NPC1RAB9ATSHRPSMB5
SCHEMBL6641758 0.78 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ATSHRPKM
SCHEMBL12384285 0.77 MTNR1A (0.58) RAB9ACYP2D6MAPT
SCHEMBL27926709 0.76 LMNA (0.55) SMN1; SMN2NPC1RAB9ATSHRPKM
SCHEMBL29359016 0.76 LMNA (0.55) SMN1; SMN2NPC1RAB9ATSHRPKM
SCHEMBL29582472 0.76 NPC1 (0.44) SMN1; SMN2NPC1RAB9ATSHRPKM

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-2023107487-A1 LONP1 INHIBITOR COMPOUNDS, USES AND METHODS PRETZEL THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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