SCHEMBL29118577

SCHEMBL29118577

COc1cc(CNCCO)nc(Nc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 10/20 1.00
▸ RECQL P46063 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ HTT P42858 3/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KCNH3 Q9ULD8 5/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL30577040 1.00 VSIR (1.00) VSIRRECQLMCL1HTTTAAR1
SCHEMBL30577038 0.91 VSIR (1.00) VSIRRECQLMCL1HTTTAAR1
SCHEMBL29118576 0.91 VSIR (1.00) VSIRRECQLMCL1HTTTAAR1
SCHEMBL29118572 0.89 VSIR (1.00) VSIRRECQLMCL1TAAR1SMN1; SMN2
SCHEMBL30577039 0.89 VSIR (1.00) VSIRRECQLMCL1TAAR1SMN1; SMN2
SCHEMBL30577042 0.88 VSIR (1.00) VSIRHTTTAAR1KDM4E
SCHEMBL29118582 0.88 VSIR (1.00) VSIRHTTTAAR1KDM4E
SCHEMBL29118580 0.88 VSIR (1.00) VSIRHTTTAAR1KDM4EKCNH3
SCHEMBL29118589 0.88 VSIR (1.00) VSIRHTTTAAR1KDM4E
SCHEMBL30577046 0.88 VSIR (1.00) VSIRHTTTAAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534623-A Heterocyclic immunosuppressant, preparation method and application thereof 中国药科大学 2024-02-09 — — CN disclosed
CN-116730925-A Heterocyclic immunosuppressant, preparation method and application thereof 中国药科大学 2023-09-12 — — CN disclosed
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