SCHEMBL4647692

SCHEMBL4647692

[N]C(CCCn1cnc2ccncc21)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
EGLN3 Q9H6Z9 1/20 0.40
APAF1 O14727 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ARG1 P05089 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL10469109 0.78 EGLN3 (0.52) LTA4HEGLN3SMN1; SMN2LMNAALOX15
SCHEMBL4647697 0.76 LTA4H (0.46) LTA4HEGLN3DRD2DRD4DRD3
SCHEMBL5748676 0.75 LTA4H (0.51) LTA4HDRD2DRD4DRD3SMN1; SMN2
SCHEMBL7105950 0.75 LTA4H (0.51) LTA4HEGLN3DRD2DRD4DRD3
SCHEMBL10469393 0.74 TBXAS1 (0.48) LTA4HEGLN3SMN1; SMN2LMNAALOX15
SCHEMBL15156969 0.74 LTA4H (0.47) LTA4HEGLN3APAF1SMN1; SMN2LMNA
SCHEMBL10646304 0.73 LTA4H (0.43) LTA4HEGLN3APAF1DRD2DRD4
SCHEMBL559450 0.73 LTA4H (0.49) LTA4HSMN1; SMN2LMNAALOX15TSHR
SCHEMBL10467934 0.72 TNF (0.54) LTA4HTDP1
SCHEMBL10645076 0.72 LTA4H (0.44) LTA4HEGLN3SMN1; SMN2LMNAKDM4E

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
EP-1957085-A2 MACROLIDES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES, LTD. (IN) 2008-08-20 EP claimed
WO-2007054904-A2 MACROLIDES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-18 WO claimed