SCHEMBL9397488

SCHEMBL9397488

NCC(=O)NC(=O)/C=C/C(=O)NC(=O)CN

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
GABRR1 P24046 2/20 0.32
GABRR2 P28476 2/20 0.32
BLM P54132 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
TSHR P16473 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 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
SCHEMBL9227811 0.90 MAPT (0.37) MAPTCACNA1BAPBA1NPSR1LMNA
SCHEMBL9434734 0.90 TSHR (0.43) GABRR1GABRR2BLMNPSR1LMNA
SCHEMBL9434744 0.90 TSHR (0.43) GABRR1GABRR2BLMNPSR1LMNA
SCHEMBL28103576 0.85 LMNA (0.31) LMNA
SCHEMBL28072502 0.83 GABRR1 (0.31) GABRR1GABRR2BLMNPSR1LMNA
SCHEMBL489998 0.81
SCHEMBL460908 0.81
SCHEMBL22401702 0.79
Hydrochloric Acid SCHEMBL28703257 0.79 TSHR (0.42) MAPTCACNA1BAPBA1LMNATSHR
Fluoride SCHEMBL22583589 0.78 GLRA1 (0.41) GLRA1SLC6A9OR51E2GABRR1LMNA

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
US-5359128-A Malic acid derivatives and compositions for the treatment of psoriasis BLANK IZHAK (IL) 1994-10-25 US disclosed
WO-1992012952-A1 MALIC ACID DERIVATIVES AND COMPOSITIONS FOR THE TREATMENT OF PSORIASIS DEXTER CHEMICAL CORPORATION (US) 1992-08-06 WO disclosed