SCHEMBL7702872

SCHEMBL7702872

COC1CCN(c2cc(NC(=O)O)c([N+](=O)[O-])cc2I)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 5/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CTPS1 P17812 1/20 0.37
LMNA P02545 2/20 0.37
CSF1R P07333 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7139736 0.88 MAPT (0.40) MAPTMAPK1ALDH1A1RECQLTDP1
SCHEMBL7703607 0.85 MAPT (0.40) MAPTMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7704017 0.83 WDR5 (0.49) MAPTMAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7700599 0.79 HCAR3 (0.39) MAPTMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7139645 0.77 MAPT (0.43) MAPTMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7140157 0.76 MAPT (0.37) MAPTMAPK1ALDH1A1RECQLTDP1
SCHEMBL7141821 0.74 MAPT (0.39) MAPTMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7146607 0.73 MAPT (0.44) MAPTMAPK1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7143075 0.73 MAPT (0.35) MAPTMAPK1ALDH1A1NPSR1LMNA
SCHEMBL7700537 0.72 MAPT (0.46) MAPTMAPK1ALDH1A1TDP1SMN1; 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
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