SCHEMBL9683100

SCHEMBL9683100

O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALPG P10696 1/20 0.59
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
APP P05067 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNMA1 Q12791 1/20 0.45

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
SCHEMBL2465858 0.85 MAPT (0.75) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9683242 0.85 MAPT (0.84) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9681781 0.83 MAPT (0.71) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9682067 0.80 MAPT (0.76) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9681394 0.80 MAPT (0.74) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL31210114 0.77 MAPT (0.56) MAPTL3MBTL1MEN1KMT2AALPG
SCHEMBL9700265 0.77 MAPT (0.56) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9701292 0.77 MAPT (0.74) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL9681376 0.77 MAPT (0.46) MAPTMEN1KMT2AALPGLMNA
SCHEMBL95561 0.76 MAPT (1.00) MAPTL3MBTL1TDP1MEN1KMT2A

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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed