SCHEMBL9682000

SCHEMBL9682000

O=[N+]([O-])c1cc(F)ccc1NCc1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
PRKCQ Q04759 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
XBP1 P17861 1/20 0.41
ARNT P27540 2/20 0.41
EPAS1 Q99814 2/20 0.41
PKM P14618 1/20 0.40
KCNMA1 Q12791 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH3A1 P30838 1/20 0.40

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
SCHEMBL9682445 0.88 MAPT (0.54) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL9682931 0.83 MAPT (0.58) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL30740584 0.82 MAPT (0.49) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL10487910 0.78 AKR1B1 (0.53) MEN1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL9683485 0.77 MAPT (0.60) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL9681422 0.77 HDAC1 (0.40) MAPTALDH1A1
SCHEMBL12658349 0.75 MAPT (0.53) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL3964712 0.73 ALDH1A1 (0.59) MAPTALDH1A1MAPK1PRKCQTDP1
SCHEMBL4090213 0.73 HCAR3 (0.61) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL23270782 0.73 MAPT (0.71) MAPTALDH1A1MAPK1PRKCQTDP1

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