SCHEMBL9366677

SCHEMBL9366677

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ LMNA P02545 2/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ SMN1; SMN2 Q16637 3/20 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
▸ BCHE P06276 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SIRT3 Q9NTG7 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
SCHEMBL9365701 0.88 LMNA (0.79) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9369302 0.88 LMNA (0.78) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8342494 0.86 LMNA (0.75) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7340898 0.86 LMNA (0.76) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8342323 0.84 LMNA (0.72) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9365729 0.84 LMNA (0.72) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29624123 0.84 KMT2A (0.72) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9365654 0.83 LMNA (0.71) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9369348 0.83 LMNA (0.71) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9365369 0.81 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ASMN1; 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 2 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 disclosed
WO-1992016508-A1 REISSERT COMPOUNDS AS ANTI-HIV AGENTS THE UPJOHN COMPANY (US) 1992-10-01 — — WO disclosed
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