SCHEMBL6921585

SCHEMBL6921585

O=C(NO)C1CCN(C(=O)/C=C/c2cc[c]c(Cl)c2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGB2 P05107 4/20 0.41
ICAM1 P05362 4/20 0.41
ITGAL P20701 4/20 0.41
CAPN1 P07384 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 2/20 0.38
GPR183 P32249 1/20 0.37

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
SCHEMBL6218242 0.87 ITGAL (0.52) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6919351 0.86 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6921387 0.84 L3MBTL1 (0.42) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6921378 0.81 MAPT (0.52) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6918094 0.78 RAB9A (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6918679 0.76 GPR183 (0.53) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL6817246 0.74 F2R (0.42) RAB9ASMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL6919430 0.74 RAB9A (0.39) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL7618219 0.73 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6921137 0.72 GPR183 (0.38) RAB9AMAPTL3MBTL1ALDH1A1GPR183

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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed