SCHEMBL28587652

SCHEMBL28587652

COc1cc(C(N)=NO)ccc1COC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 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
SCHEMBL21306867 0.84 CA12 (0.60) SMN1; SMN2KMT2AMEN1RAB9ALMNA
SCHEMBL28576874 0.83 PRSS1 (0.52) SMN1; SMN2KMT2AMEN1MAPTTSHR
SCHEMBL27639799 0.78 GAA (0.59) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL19860802 0.78 APLNR (0.51) KMT2AMEN1POLBCA12CA1
SCHEMBL1660322 0.77 RECQL (0.77) RECQLSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4221613 0.77 RECQL (0.77) RECQLSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL30506314 0.77 RECQL (0.77) RECQLSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL29144074 0.77 KDM4C (0.45) RECQLSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL16935790 0.74 RECQL (0.58) RECQLSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL18373541 0.74 RECQL (0.58) RECQLSMN1; SMN2KMT2AMEN1MAPT

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
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN disclosed