SCHEMBL7975476

SCHEMBL7975476

CCCCOC(=O)NC(=N)c1cc[c]cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
NPC1 O15118 7/20 0.40
HPGD P15428 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 6/20 0.36
NFKB1 P19838 1/20 0.36
STAT1 P42224 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL7974849 0.92 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL7990319 0.87 SMN1; SMN2 (0.38) SMN1; SMN2NPC1HPGDMAPK1ALDH1A1
SCHEMBL7986794 0.83 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL7985659 0.80 RAB9A (0.45) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL130033 0.80 TSHR (0.49) RAB9ASMN1; SMN2HPGDL3MBTL1MAPK1
SCHEMBL7989755 0.79
SCHEMBL7975327 0.78 LMNA (0.44) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL7992455 0.76 NPC1 (0.44) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL7985754 0.75 EPHX1 (0.46) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL7988847 0.75 RAB9A (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed