SCHEMBL8619461

SCHEMBL8619461

O=C1c2ccccc2C(O)N1CCCCSc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ PKM P14618 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SCN5A Q14524 3/20 0.38
▸ SCN9A Q15858 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TOP1 P11387 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ PDE6D O43924 1/20 0.36

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
SCHEMBL8795158 0.82 L3MBTL1 (0.47) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL8795000 0.79 L3MBTL1 (0.48) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL8618060 0.77 HSD17B10 (0.56) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL8619998 0.77 L3MBTL1 (0.49) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL9188610 0.76 L3MBTL1 (0.56) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL20216016 0.76 L3MBTL1 (0.58) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL16392966 0.74 L3MBTL1 (0.57) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL21985460 0.74 L3MBTL1 (0.57) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL19976649 0.74 L3MBTL1 (0.57) L3MBTL1HPGDLMNAALDH1A1PKM
SCHEMBL23585046 0.74 L3MBTL1 (0.59) L3MBTL1HPGDLMNAALDH1A1PKM

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
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 — — US disclosed
Send feedback