SCHEMBL9366782

SCHEMBL9366782

COC(=O)c1ccc(C(=O)C=CC(=O)N2c3ccccc3C=CC2C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPT P10636 4/20 0.36
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ P2RX4 Q99571 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL9365701 0.85 LMNA (0.79) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9365369 0.76 ALDH1A1 (0.68) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9366481 0.75 LMNA (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9366567 0.75 LMNA (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9366482 0.75 LMNA (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9365679 0.75 LMNA (0.53) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9369302 0.73 LMNA (0.78) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9365441 0.72 LMNA (0.54) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9366552 0.72 ALDH1A1 (0.48) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8342494 0.71 LMNA (0.75) LMNAMEN1KMT2AALDH1A1SMN1; 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
Send feedback