SCHEMBL19861792

SCHEMBL19861792

COc1ccc(NC(=O)OCCCCC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 6/20 0.57
HPGD P15428 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
CASP1 P29466 1/20 0.53
ALDH1A1 P00352 2/20 0.50
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
MCL1 Q07820 1/20 0.50
ANPEP P15144 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL19861791 0.84 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL16374712 0.84 NPC1 (0.69) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL10595749 0.84 LMNA (0.65) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL21059190 0.84 RAB9A (0.73) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL21059248 0.83 NPC1 (0.68) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL22550488 0.82 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL20718178 0.81 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL4652623 0.81 LMNA (0.76) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL21059104 0.79 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL21230729 0.78 NPC1 (0.57) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1

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-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed