SCHEMBL9522532

SCHEMBL9522532

CCOC(=O)C(=O)Nc1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccc(F)cc1)CS2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
TP53 P04637 5/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
IKBKB O14920 5/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
RIPK1 Q13546 1/20 0.35
CYP19A1 P11511 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9525898 0.98 MAPT (0.40) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL9316085 0.96 MAPT (0.37) MAPTTP53ALDH1A1KDM4ECYP19A1
SCHEMBL9522526 0.91 IKBKB (0.38) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL9522378 0.91 RIPK1 (0.38) MAPTTP53ALDH1A1RIPK1CYP19A1
SCHEMBL9525574 0.90 LMNA (0.37) MAPTTP53ALDH1A1RXFP1LMNA
SCHEMBL9525895 0.89 RIPK1 (0.38) MAPTTP53ALDH1A1IKBKBRIPK1
SCHEMBL9523726 0.88 CA1 (0.39) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL9316080 0.87 TP53 (0.37) MAPTTP53IKBKBRIPK1LMNA
SCHEMBL9168578 0.86 MAPT (0.41) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL9833948 0.86 ALDH1A1 (0.40) MAPTTP53ALDH1A1IKBKBRIPK1

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-0420883-B1 TRICYCLIC 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ERBA CARLO SPA (IT) 1993-11-03 EP disclosed
US-5166152-A Immunostimulants, bactericides, viricides, antitumor agents FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-24 US 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