SCHEMBL9523403

SCHEMBL9523403

CC(C)C[C@H](NC(=O)c1cccc2c1SCc1c(C(=O)C(C#N)C(=O)Nc3ccccc3)nn(-c3ccccc3)c1-2)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.36
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
PGGT1B P53609 3/20 0.33
DGAT1 O75907 1/20 0.33
CLPP Q16740 2/20 0.33
GAA P10253 2/20 0.33
CTSL P07711 1/20 0.33
HTT P42858 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33

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
SCHEMBL9525878 0.94 KMT2A (0.34) FNTAFNTBPGGT1BCLPPCTSL
SCHEMBL9525756 0.91 CARM1 (0.32)
SCHEMBL9522547 0.91 CNR1 (0.39) CTSL
SCHEMBL9525427 0.88 KMT2A (0.33)
SCHEMBL9525917 0.87 CNR1 (0.42) GAACTSL
SCHEMBL9316750 0.86 PIK3CD (0.34)
SCHEMBL9525929 0.86 DGAT1 (0.37) F3DGAT1CTSLGRNSORT1
SCHEMBL9522525 0.86 KEAP1 (0.35)
SCHEMBL9522404 0.85 KMT2A (0.41) GAA
SCHEMBL9523370 0.85 KDR (0.34)

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-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