SCHEMBL21597598

SCHEMBL21597598

CCOC(CNC(=O)c1cc(NC(=O)OCc2ccccc2)n(C)n1)OCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CARM1 Q86X55 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SYK P43405 1/20 0.38
PTGER1 P34995 1/20 0.37

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
SCHEMBL14019190 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL4759503 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL8111687 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL27415197 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL14019185 0.78 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL5740648 0.78 LMNA (0.54) SMN1; SMN2NPC1RAB9AHSD17B10SYK
SCHEMBL14019178 0.76 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL14019177 0.74 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBMEN1
SCHEMBL1313129 0.73 ATM (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1312697 0.72 L3MBTL1 (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed