SCHEMBL7977277

SCHEMBL7977277

CCCC(=NO)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7991972 0.94 GAA (0.45) GAARAB9ATP53NPC1LMNA
SCHEMBL7991191 0.90 GAA (0.42) GAARAB9ATP53NPC1LMNA
SCHEMBL7987565 0.83 L3MBTL1 (0.55) NPC1LMNAMAPTL3MBTL1HRH3
SCHEMBL647792 0.83 FURIN (0.43) GAARAB9ATP53NPC1LMNA
SCHEMBL647793 0.83 FURIN (0.43) GAARAB9ATP53NPC1LMNA
SCHEMBL4384958 0.82 KDM4E (0.38) GAARAB9ATP53NPC1LMNA
SCHEMBL4384962 0.82 KDM4E (0.38) GAARAB9ATP53NPC1LMNA
SCHEMBL4390061 0.79 CYP1A2 (0.40) GAARAB9ATP53NPC1LMNA
SCHEMBL4390064 0.79 CYP1A2 (0.40) GAARAB9ATP53NPC1LMNA
SCHEMBL7990745 0.79 HRH2 (0.57) L3MBTL1

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed