SCHEMBL28445007

SCHEMBL28445007

CCCCC(=O)Oc1c(F)ccc([N+](=O)[O-])c1N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.34
MGLL Q99685 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL28447787 0.85 KMT2A (0.40) KMT2AALDH1A1TDP1SMN1; SMN2BCL9
SCHEMBL28897477 0.84 KMT2A (0.42) KMT2AALDH1A1TDP1SMN1; SMN2BCL9
SCHEMBL28448767 0.77 L3MBTL1 (0.35) KMT2AALDH1A1TDP1SMN1; SMN2BCL9
SCHEMBL28453526 0.77 RAB9A (0.38) KMT2AALDH1A1TDP1MEN1RECQL
SCHEMBL1999176 0.75 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL28451372 0.74 GAA (0.49) KMT2AALDH1A1TDP1SMN1; SMN2BCL9
SCHEMBL1998078 0.73 KMT2A (0.50) KMT2ASMN1; SMN2KDM4EMEN1RECQL
SCHEMBL29199525 0.73 KMT2A (0.43) KMT2AALDH1A1TDP1SMN1; SMN2BCL9
SCHEMBL27972635 0.70 MAPT (0.40) KMT2AALDH1A1TDP1SMN1; SMN2BCL9
SCHEMBL1013795 0.70 KMT2A (0.58) KMT2AALDH1A1TDP1SMN1; SMN2KDM4E

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