SCHEMBL9523670

SCHEMBL9523670

N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2ccccc2)c2c1CSc1ccc(COC(=O)CCC(=O)O)cc1-2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.33
TP53 P04637 6/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3R2 O00459 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PIK3R5 Q8WYR1 1/20 0.30
PIK3R3 Q92569 1/20 0.30

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
SCHEMBL9535632 0.88 MEN1 (0.34) MAPTMEN1POLBKMT2APIK3CD
SCHEMBL9524294 0.86 ADORA3 (0.34) MAPTTP53LMNAMEN1POLB
SCHEMBL9522761 0.85 PIK3CD (0.30) KMT2APIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL9522542 0.83 TP53 (0.40) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9523576 0.83 TP53 (0.34) MAPTTP53LMNAMEN1POLB
SCHEMBL9316111 0.83 PIK3CD (0.38) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9316680 0.83 MAPT (0.45) MAPTTP53LMNAPIK3CDPIK3R2
SCHEMBL9316496 0.83 MEN1 (0.40) MAPTTP53LMNAMEN1POLB
SCHEMBL9523890 0.83 TP53 (0.35) MAPTTP53LMNAMEN1KMT2A
SCHEMBL9831280 0.83 PIK3CD (0.37) MAPTTP53LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
EP-0420883-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1991-04-10 EP disclosed
WO-1989012638-A1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1989-12-28 WO disclosed