SCHEMBL27906322

SCHEMBL27906322

O=C(O)C(O)C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
MMP2 P08253 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.44
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44

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
SCHEMBL27906315 0.86 SIGMAR1 (0.49) BCHEBACE1CYP1A2
SCHEMBL27889799 0.82 PYGL (0.49) CYP2C19MMP2CYP1A2
SCHEMBL1096514 0.78 CA2 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23802828 0.77 LMNA (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6540295 0.77 LMNA (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4926907 0.77 MEP1B (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4926892 0.77 MEP1B (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2797012 0.77 SIGMAR1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2451270 0.77 SIGMAR1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2794528 0.77 SIGMAR1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-102906063-B Prepare the method for Isoserine derivatives INDENA S.P.A. (IT) 2016-01-20 CN disclosed
CN-102906063-A A process for the preparation of isoserine derivatives INDENA SPA 2013-01-30 CN disclosed