SCHEMBL9365701

SCHEMBL9365701

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.79
▸ MEN1 O00255 3/20 0.79
▸ KMT2A Q03164 3/20 0.79
▸ ALDH1A1 P00352 2/20 0.79
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ TSHR P16473 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ P2RX4 Q99571 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 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
SCHEMBL9369302 0.88 LMNA (0.78) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9366782 0.85 LMNA (0.58) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8342323 0.84 LMNA (0.72) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9365729 0.84 LMNA (0.72) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8343305 0.81 LMNA (0.68) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9365654 0.81 LMNA (0.71) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9366963 0.80 ALDH1A1 (0.67) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8345917 0.72 LMNA (0.78) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4429170 0.72 LMNA (0.67) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4422567 0.71 LMNA (0.79) 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
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