SCHEMBL9505815

SCHEMBL9505815

CC(=O)Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GALR2 O43603 1/20 0.55
MITF O75030 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.55
XBP1 P17861 1/20 0.55
CCR6 P51684 1/20 0.55
MAPT P10636 2/20 0.51
SLC9A1 P19634 1/20 0.50
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
PKM P14618 2/20 0.43

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
SCHEMBL8767277 0.82 MAPT (0.51) POLBLMNANPSR1SMN1; SMN2GALR2
SCHEMBL29760455 0.82 ALDH1A1 (0.51) POLBLMNANPSR1SMN1; SMN2GALR2
SCHEMBL23524987 0.82 ALDH1A1 (0.51) POLBLMNANPSR1SMN1; SMN2GALR2
SCHEMBL11237157 0.81 POLB (0.60) POLBLMNANPSR1SMN1; SMN2GALR2
SCHEMBL11877119 0.79 ALDH1A1 (0.48) POLBLMNANPSR1SMN1; SMN2GALR2
SCHEMBL11692881 0.79 MAPT (0.48) POLBLMNANPSR1SMN1; SMN2GALR2
SCHEMBL4326710 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPTHTTKMT2A
SCHEMBL6433126 0.78 MAPT (0.50) POLBLMNANPSR1SMN1; SMN2GALR2
SCHEMBL11595305 0.77 MAPT (0.47) POLBLMNANPSR1SMN1; SMN2GALR2
SCHEMBL6354542 0.77 MAPT (0.56) NPSR1SMN1; SMN2ALDH1A1MAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344735-B1 NON-LINEAR OPTICAL MATERIAL MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-4985179-A VINYLIDENE CYANIDE COPOLYMER, ORGANIC CRYSTAL MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0344735-A2 Non-linear optical material MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-12-06 EP disclosed