SCHEMBL10667429

SCHEMBL10667429

CCCCCCN1C(=O)/C(=C/C(=O)O)S/C1=N/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ FAAH O00519 1/20 0.53
▸ CDC25A P30304 9/20 0.51
▸ PSMB8 P28062 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ ACP1 P24666 1/20 0.43

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
SCHEMBL10667434 1.00 LMNA (0.55) LMNAHPGDSMN1; SMN2FAAHCDC25A
SCHEMBL10666251 0.85 S1PR1 (0.48) LMNAHPGDSMN1; SMN2FAAHCDC25A
SCHEMBL10666243 0.85 S1PR1 (0.48) LMNAHPGDSMN1; SMN2FAAHCDC25A
SCHEMBL11333427 0.85 LMNA (0.72) LMNAHPGDSMN1; SMN2FAAHPSMB8
SCHEMBL11333429 0.85 LMNA (0.72) LMNAHPGDSMN1; SMN2FAAHPSMB8
SCHEMBL10665524 0.84 CDC25A (0.45) LMNAHPGDSMN1; SMN2FAAHCDC25A
SCHEMBL10665518 0.84 CDC25A (0.45) LMNAHPGDSMN1; SMN2FAAHCDC25A
SCHEMBL10661496 0.81 CDC25A (0.44) LMNAHPGDSMN1; SMN2FAAHCDC25A
SCHEMBL10666033 0.81 CDC25A (0.44) LMNAHPGDSMN1; SMN2FAAHCDC25A
SCHEMBL10664577 0.81 CDC25A (0.44) LMNAHPGDSMN1; SMN2FAAHCDC25A

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
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US claimed
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
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