SCHEMBL626732

SCHEMBL626732

Cc1c(Cl)ccc(C(C)(C(=O)O)C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
VCAM1 P19320 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
TSHR P16473 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 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
SCHEMBL8482488 0.82 TSHR (0.46) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL10924079 0.80 NPSR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1795777 0.78 AR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27703675 0.76 TSHR (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7620045 0.74 TSHR (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29749675 0.74 HSD17B10 (0.51) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL2597744 0.73 TSHR (0.46) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL8769259 0.72 ALDH1A1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7878203 0.72 GPR35 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15131962 0.71 KMT2A (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
WO-2012020424-A1 A SHORT PROCESS FOR THE PREPARATION OF ZIPRASIDONE AND INTERMEDIATES THEREOF ARCH PHARMALABS LIMITED (IN) 2012-02-16 WO disclosed
WO-2003099198-A2 A PROCESS FOR THE PREPARATION OF OXINDOLE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-12-04 WO disclosed