SCHEMBL28587738

SCHEMBL28587738

CCCOC(=O)CN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
HCAR3 P49019 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 1/20 0.35
TTR P02766 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL28583372 0.91 MAPT (0.45) ALDH1A1LMNASMN1; SMN2MAPTTDP1
SCHEMBL28575301 0.86 ATM (0.41) ALDH1A1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL29676432 0.86 ATM (0.41) ALDH1A1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL28569109 0.83 SMN1; SMN2 (0.41) ALDH1A1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL28574975 0.82 MAPT (0.39) ALDH1A1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL29676355 0.82 ATM (0.44) ALDH1A1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL28570861 0.82 ATM (0.44) ALDH1A1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL8991985 0.80 ALDH1A1 (0.50) ALDH1A1RAB9AL3MBTL1LMNAGLA
SCHEMBL5508386 0.76 ATM (0.51) ALDH1A1L3MBTL1LMNANPSR1SMN1; SMN2
SCHEMBL11212820 0.75 ATM (0.47) ALDH1A1RAB9AL3MBTL1LMNASMN1; 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-112979658-B Preparation method of flumazenil 南湖实验室 2022-05-31 CN disclosed
CN-112979658-A Preparation method of flumazenil 南湖实验室 2021-06-18 CN disclosed