SCHEMBL30554010

SCHEMBL30554010

CCOC(=O)c1nccn1Cc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CDC7 O00311 3/20 0.46
DBF4 Q9UBU7 3/20 0.46
FLT1 P17948 3/20 0.44
KDR P35968 3/20 0.44
TP53 P04637 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
NAMPT P43490 3/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK10 P53779 2/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30554022 0.90 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ATP53OPRM1
SCHEMBL1593910 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AOPRM1OPRD1
SCHEMBL30554031 0.89 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATP53OPRM1
SCHEMBL12803808 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AFLT1KDR
SCHEMBL30554030 0.88 OPRD1 (0.51) SMN1; SMN2NPC1RAB9ATP53OPRM1
SCHEMBL30554002 0.86 LMNA (0.48) SMN1; SMN2NPC1RAB9ATP53OPRM1
SCHEMBL28415984 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATP53OPRM1
SCHEMBL22310229 0.86 RAB9A (0.56) SMN1; SMN2NPC1RAB9ATP53OPRD1
SCHEMBL28700028 0.86 USP2 (0.51) SMN1; SMN2NPC1RAB9AFLT1KDR
SCHEMBL28710568 0.83 MAPT (0.51) SMN1; SMN2NPC1RAB9ATP53OPRM1

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
CN-111187218-B Application of 1-substituted-1H-imidazole-2-carboxylic acid compound in preparation of metal beta-lactamase inhibitor 四川大学 2023-08-04 CN disclosed
CN-111253317-B 1-substituted-1H-imidazole-2-carboxylic acid compound 四川大学 2023-08-04 CN disclosed