SCHEMBL27633481

SCHEMBL27633481

Cn1ccc(C(=O)c2ccn(C)c2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
NR4A2 P43354 1/20 0.38
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NOTUM Q6P988 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL3260481 0.89 LIPG (0.45) LIPGGABRA1GABRG2GABRB3GABRA3
SCHEMBL27653930 0.78 NOTUM (0.44) GABRA1GABRG2GABRB3GABRA3POLB
SCHEMBL14263093 0.75 TRPV1 (0.44) LIPGALDH1A1CYP1A2
SCHEMBL34469884 0.73 PTGS2 (0.48) LIPGALDH1A1NOTUMSMN1; SMN2CYP2C19
SCHEMBL9458564 0.71 ALDH1A1 (0.49) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL27633470 0.69 SMN1; SMN2 (0.47) GABRA1GABRG2GABRB3GABRA3MMP1
SCHEMBL27633483 0.69 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL34470252 0.67 MAP4K4 (0.44)
SCHEMBL9635530 0.67 ALDH1A1 (0.50) POLBALDH1A1HSD17B10ATMCYP2C9
SCHEMBL3494668 0.67 MAOA (0.41) NR4A2POLBALDH1A1L3MBTL1DHODH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829697-A Aryl-heteroaromatic products, compositions containing same and use thereof AVENTIS PHARMA SA (FR) 2006-09-06 CN claimed
CN-100427472-C Aryl-heteroaromatic compounds, compositions containing them and their use AVENTIS PHARMA SA (FR) 2008-10-22 CN disclosed
CN-1829697-A Aryl-heteroaromatic products, compositions containing same and use thereof AVENTIS PHARMA SA (FR) 2006-09-06 CN disclosed