SCHEMBL7991972

SCHEMBL7991972

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLA2G4B P0C869 1/20 0.36

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
SCHEMBL7977277 0.94 GAA (0.43) GAARAB9ATP53NPC1LMNA
SCHEMBL7991191 0.89 GAA (0.42) GAARAB9ATP53NPC1LMNA
SCHEMBL4390064 0.83 CYP1A2 (0.40) GAARAB9ATP53NPC1LMNA
SCHEMBL4390061 0.83 CYP1A2 (0.40) GAARAB9ATP53NPC1LMNA
SCHEMBL647792 0.82 FURIN (0.43) GAARAB9ATP53NPC1LMNA
SCHEMBL647793 0.82 FURIN (0.43) GAARAB9ATP53NPC1LMNA
SCHEMBL7977269 0.81 CES2 (0.45) TP53L3MBTL1TSHRPLA2G4B
SCHEMBL7990745 0.80 HRH2 (0.57) L3MBTL1
SCHEMBL7987565 0.80 L3MBTL1 (0.55) NPC1LMNAMAPTL3MBTL1CYP1A2
SCHEMBL7987723 0.79 HRH2 (0.56) 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