SCHEMBL28448767

SCHEMBL28448767

CCCCC(=O)Oc1c(F)ccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MGLL Q99685 1/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32

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
SCHEMBL28445007 0.77 KMT2A (0.40) L3MBTL1POLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL7011944 0.75 MAPT (0.38) L3MBTL1SMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL28511488 0.73 GSTP1 (0.34) SMN1; SMN2KMT2AALDH1A1GAAMEN1
SCHEMBL4591743 0.73 MAPT (0.42) SMN1; SMN2KMT2AALDH1A1GAAHTT
SCHEMBL8896631 0.71 ALDH1A1 (0.53) POLBSMN1; SMN2KMT2AALDH1A1TDP1
SCHEMBL6384397 0.70 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AALDH1A1GAAMEN1
SCHEMBL8787245 0.68 KDM4E (0.46) KMT2AMEN1KDM4E
SCHEMBL11900877 0.68 CA1 (0.47) POLBKMT2AALDH1A1TDP1GAA
SCHEMBL7070721 0.68 AR (0.48) SMN1; SMN2KMT2AALDH1A1TDP1HTT
SCHEMBL30896778 0.68 AR (0.48) SMN1; SMN2KMT2AALDH1A1TDP1HTT

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-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed