SCHEMBL25250091

SCHEMBL25250091

[CH2]CCc1ccc(C2CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CSF1R P07333 4/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ MTOR P42345 2/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ NTRK2 Q16620 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
SCHEMBL22092272 0.81 MEN1 (0.40) NOTUMMEN1KMT2AL3MBTL1CACNA1G
SCHEMBL21503622 0.81 SMN1; SMN2 (0.43) NOTUMMEN1KMT2AL3MBTL1IDO1
SCHEMBL11502287 0.79 RAB9A (0.50) MEN1KMT2AL3MBTL1IDO1NPC1
SCHEMBL25301900 0.79 FFAR4 (0.39) NOTUMMEN1KMT2AL3MBTL1CACNA1G
SCHEMBL25260476 0.78 NOTUM (0.35) NOTUMMEN1KMT2AL3MBTL1CACNA1G
SCHEMBL23062630 0.77 NOTUM (0.40) NOTUMMEN1KMT2AL3MBTL1CACNA1G
SCHEMBL22719359 0.77 NOTUM (0.40) NOTUMMEN1KMT2AL3MBTL1CACNA1G
SCHEMBL1727867 0.77 MEN1 (0.41) NOTUMMEN1KMT2AL3MBTL1CACNA1G
SCHEMBL16843295 0.77 NOTUM (0.40) NOTUMMEN1KMT2AL3MBTL1CACNA1G
SCHEMBL12151773 0.77 PDE10A (0.43) NOTUMMEN1KMT2AL3MBTL1IDO1

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-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 — — WO disclosed
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