SCHEMBL16795486

SCHEMBL16795486

C=CCc1c(C(=O)O)ccc(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38

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
SCHEMBL7076994 0.83 ALDH1A1 (0.40) KDM4EGAAHSD17B10TSHRSMN1; SMN2
SCHEMBL996835 0.80 CYP1A2 (0.44) KDM4EGAAHSD17B10TSHRSMN1; SMN2
SCHEMBL10983387 0.80 GABRP (0.46) KDM4EGAAHSD17B10SMN1; SMN2GABRP
SCHEMBL7676286 0.79 KDM4E (0.44) KDM4EGAAHSD17B10TSHRSMN1; SMN2
SCHEMBL27615088 0.78 ALDH1A1 (0.41) KDM4EGAAHSD17B10TSHRSMN1; SMN2
SCHEMBL788899 0.78 SELL (0.45) KDM4EGAAHSD17B10TSHRSMN1; SMN2
SCHEMBL18929968 0.77 ALDH1A1 (0.50) KDM4EGAAHSD17B10TSHRSMN1; SMN2
SCHEMBL7160625 0.77 KDM4E (0.41) KDM4EGAAHSD17B10GABRPGABRD
SCHEMBL5412420 0.76 MEN1 (0.34) KDM4EGAANPSR1ALDH1A1KMT2A
SCHEMBL6526829 0.75 SELL (0.52) KDM4EGAAHSD17B10TSHRSMN1; SMN2

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-2015087343-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF NILOTINIB AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2015-06-18 WO claimed
WO-2015087343-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF NILOTINIB AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2015-06-18 WO disclosed