SCHEMBL9365446

SCHEMBL9365446

CC(=O)Oc1ccc(C=CC(=O)N2c3ccccc3C=CC2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TTR P02766 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34

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
SCHEMBL9365441 1.00 LMNA (0.54) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9365369 0.90 ALDH1A1 (0.68) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9365375 0.90 ALDH1A1 (0.68) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9365675 0.87 LMNA (0.53) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9365679 0.87 LMNA (0.53) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9366482 0.86 LMNA (0.52) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9366481 0.86 LMNA (0.52) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9366567 0.86 LMNA (0.52) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9365487 0.84 KMT2A (0.48) LMNAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9366552 0.84 ALDH1A1 (0.48) LMNAKMT2AALDH1A1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 — — EP claimed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO claimed
EP-0579695-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1994-01-26 — — EP disclosed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO disclosed
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