SCHEMBL6607277

SCHEMBL6607277

CN(C)c1cc(NC(=O)O)c([N+](=O)[O-])cc1-c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCAR3 P49019 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 7/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
PKM P14618 1/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6881721 0.91 KMT2A (0.42) MAPTNPSR1HCAR3KMT2AMEN1
SCHEMBL6164705 0.86 RAB9A (0.37) MAPTNPSR1KMT2AMEN1RAB9A
SCHEMBL6609128 0.81 DYRK1A (0.37) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL5562862 0.77 RAB9A (0.41) MAPTNPSR1HCAR3KMT2AMEN1
SCHEMBL6607273 0.73 MAPT (0.45) MAPTNPSR1HCAR3KMT2AMEN1
SCHEMBL6607646 0.73 MAPT (0.45) MAPTNPSR1HCAR3KMT2ARAB9A
SCHEMBL6607834 0.73 MAPT (0.45) MAPTHCAR3KMT2AMEN1RAB9A
SCHEMBL6608184 0.72 MAPT (0.42) MAPTNPSR1HCAR3KMT2ARAB9A
SCHEMBL6611884 0.72 HDAC1 (0.40) MAPTRAB9ASMN1; SMN2HTTKDM4E
SCHEMBL5106497 0.69 CHRM3 (0.48) MAPTKMT2AMEN1RAB9AALDH1A1

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
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed