SCHEMBL7047760

SCHEMBL7047760

O=C(Nc1ccccc1)c1nc(Cc2ccccc2)c(Cc2ccccc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.49
POLB P06746 2/20 0.44
BCL2 P10415 1/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 4/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 1/20 0.41
ADRB2 P07550 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ABL1 P00519 1/20 0.40
ALOX15 P16050 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL7042640 0.91 SMN1; SMN2 (0.46) POLBMAPTTDP1RAB9ASMN1; SMN2
SCHEMBL6552425 0.82 LTB4R (0.57) LTB4RHSD17B10ALDH1A1KMT2AGAA
SCHEMBL6551978 0.77 HTT (0.49) LTB4RPOLBLMNA
SCHEMBL7046180 0.77 EPHX2 (0.50) RAB9ASMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL7044700 0.77 SMN1; SMN2 (0.52) POLBHSD17B10RAB9ASMN1; SMN2L3MBTL1
SCHEMBL6553452 0.75 TDP1 (0.50) LTB4RPOLBMAPTTDP1RAB9A
SCHEMBL7046185 0.75 CDK5 (0.49) LTB4RRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22048694 0.72 LTB4R (0.50) LTB4RPOLBMAPTHSD17B10SMN1; SMN2
SCHEMBL7044623 0.72 NPC1 (0.43) LTB4RPOLBRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4437426 0.70 MMP2 (0.58) POLBMAPTTDP1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed