SCHEMBL8883294

SCHEMBL8883294

CCOc1ccc([N+](=O)[O-])c(NCCN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.59
TDP1 Q9NUW8 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 4/20 0.52
MAPK1 P28482 3/20 0.52
PKM P14618 2/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.50

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
SCHEMBL5343044 0.83 MAPT (0.55) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL22456073 0.83 MAPT (0.67) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL8883387 0.82 MAPT (0.50) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL8564086 0.81 MAPT (0.61) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL16044320 0.81 MAPT (0.61) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL5341510 0.81 CYP2C19 (0.62) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL22455941 0.80 MAPT (0.61) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL4240340 0.78 MAPT (0.58) MAPTTDP1MEN1KMT2AHPGD
SCHEMBL737318 0.78 MEN1 (0.62) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL8886171 0.77 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP disclosed