SCHEMBL7698657

SCHEMBL7698657

Cc1cc(NC(=O)O)c([N+](=O)[O-])cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
RECQL P46063 1/20 0.47
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 5/20 0.43
HCAR3 P49019 2/20 0.42
MAPK1 P28482 3/20 0.42
GLA P06280 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6608481 0.83 CXCR2 (0.43) MAPTHTTNPC1RAB9AKMT2A
SCHEMBL6607646 0.82 MAPT (0.45) MAPTRECQLHTTNPC1RAB9A
SCHEMBL7700537 0.82 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7144170 0.82 RECQL (0.43) MAPTRECQLHTTTP53NPC1
SCHEMBL28754179 0.81 MAPT (0.49) MAPTRECQLHTTTP53NPC1
SCHEMBL7643861 0.79 MAPT (0.50) MAPTRECQLHTTTP53NPC1
SCHEMBL7704022 0.79 NPC1 (0.41) MAPTRECQLHTTNPC1RAB9A
SCHEMBL21723616 0.78 GAA (0.50) MAPTRECQLHTTTP53NPC1
SCHEMBL5606205 0.77 MAPT (0.49) MAPTRECQLHTTTP53NPC1
SCHEMBL17336846 0.77 MAPT (0.46) MAPTRECQLHTTTP53NPC1

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-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed