SCHEMBL26789772

SCHEMBL26789772

CCC(=O)Nc1c(OC)ccnc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HTT P42858 1/20 0.47
▸ ADORA3 P0DMS8 2/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ KDR P35968 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL26789531 0.82 ALDH1A1 (0.51) SMN1; SMN2HPGDHSD17B10LMNATSHR
SCHEMBL7532501 0.75 PKM (0.56) SMN1; SMN2LMNAHTTALDH1A1PKM
SCHEMBL17520146 0.75 MAPT (0.41) SMN1; SMN2LMNAHTTL3MBTL1ALDH1A1
SCHEMBL26792358 0.75 LMNA (0.45) SMN1; SMN2HPGDHSD17B10LMNATSHR
SCHEMBL26789536 0.73 LMNA (0.53) SMN1; SMN2LMNATSHRADORA3L3MBTL1
SCHEMBL13304014 0.72 HTT (0.49) SMN1; SMN2HPGDHSD17B10LMNATSHR
SCHEMBL30601583 0.72 HTT (0.49) SMN1; SMN2HPGDHSD17B10LMNATSHR
SCHEMBL26789816 0.72 POLB (0.40) SMN1; SMN2HPGDTSHRHTTADORA3
SCHEMBL27651704 0.71 ALDH1A1 (0.42) SMN1; SMN2HSD17B10LMNATSHRHTT
SCHEMBL19150881 0.71 ADORA3 (0.46) SMN1; SMN2HPGDHSD17B10HTTADORA3

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-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 — — WO disclosed
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