SCHEMBL27636638

SCHEMBL27636638

O=CNc1ccc(-c2ncc(-c3ccc(NC4CCCCC4)cc3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 5/20 0.39
NPY5R Q15761 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IP6K1 Q92551 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6887204 0.90 SCN2A (0.47) SCN2ANPY5RMAPTKDM4EMEN1
SCHEMBL6887052 0.90 SCN2A (0.47) SCN2ANPY5RMAPTKDM4EMEN1
SCHEMBL6027412 0.84 SCN2A (0.42) SCN2ANPY5RMAPTKDM4EMEN1
SCHEMBL6027409 0.81 NQO2 (0.46) TRPV1SCN3ASCN9ANQO2
SCHEMBL6887198 0.81 PTPN1 (0.54) MAPTKDM4EALDH1A1MAPK1KMT2A
SCHEMBL6028361 0.81 PTPN1 (0.54) MAPTKDM4EALDH1A1MAPK1KMT2A
SCHEMBL6887046 0.81 PTPN1 (0.54) MAPTKDM4EALDH1A1MAPK1KMT2A
SCHEMBL6028360 0.72 PTPN1 (0.62) MAPTKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL14311202 0.72 PTPN1 (0.62) MAPTKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL14305032 0.72 PTPN1 (0.62) MAPTKDM4EALDH1A1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826111-A Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS (US) 2006-08-30 CN disclosed