SCHEMBL9365369

SCHEMBL9365369

COc1ccc(/C=C/C(=O)N2c3ccccc3C=CC2C#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.68
▸ LMNA P02545 4/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ F3 P13726 1/20 0.42
▸ GPR183 P32249 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL9365375 1.00 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL9365441 0.90 LMNA (0.54) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL9365446 0.90 LMNA (0.54) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL9365675 0.89 LMNA (0.53) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL9365679 0.89 LMNA (0.53) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL9366482 0.88 LMNA (0.52) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL9366481 0.88 LMNA (0.52) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL9366567 0.88 LMNA (0.52) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL9365498 0.86 LMNA (0.48) ALDH1A1LMNAMEN1KMT2AGPR183
SCHEMBL9366552 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AMAPT

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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