SCHEMBL9523673

SCHEMBL9523673

C[C@H](NC(=O)c1ccc2c(c1)-c1c(c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn1-c1ccccc1)CS2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.35
MAPT P10636 6/20 0.34
LMNA P02545 1/20 0.34
DGAT1 O75907 1/20 0.33
RIPK1 Q13546 1/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL9523140 0.94 TP53 (0.37) TP53MAPTLMNAMAPK14
SCHEMBL9525929 0.91 DGAT1 (0.37) TP53MAPTLMNADGAT1MAPK14
SCHEMBL9523890 0.89 TP53 (0.35) TP53MAPTLMNA
SCHEMBL9522296 0.88 TP53 (0.37) TP53MAPTLMNADGAT1
SCHEMBL9522441 0.88 TP53 (0.44) TP53MAPTLMNA
SCHEMBL9523565 0.88 TAS1R3 (0.36) TP53MAPTMAPK14
SCHEMBL9174806 0.87 DGAT1 (0.35) DGAT1RIPK1MAPK13MAPK12MAPK11
SCHEMBL9523089 0.87 TP53 (0.38) TP53MAPTLMNA
SCHEMBL9316680 0.86 MAPT (0.45) TP53MAPTLMNARIPK1
SCHEMBL9522233 0.85 KMT2A (0.44) TP53MAPTLMNA

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