SCHEMBL9680964

SCHEMBL9680964

O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
PRKCQ Q04759 7/20 0.42
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
AHR P35869 1/20 0.40
ALDH3A1 P30838 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
AKR1B1 P15121 1/20 0.38
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 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
SCHEMBL9682445 0.80 MAPT (0.54) MAPTALDH1A1POLBIDO1TDO2
SCHEMBL9682449 0.80 TRAP1 (0.44) MAPTALDH1A1MEN1KMT2AAKR1B1
SCHEMBL9681363 0.75 MAPT (0.55) MAPTALDH1A1POLBPRKCQAHR
SCHEMBL31048492 0.75 PRKCQ (0.43) MAPTALDH1A1POLBPRKCQMEN1
SCHEMBL6715157 0.73 P2RX7 (0.38) MAPTALDH1A1PRKCQMEN1KMT2A
SCHEMBL9682000 0.72 MAPT (0.51) MAPTALDH1A1POLBPRKCQALDH3A1
SCHEMBL10487794 0.72 HPGD (0.62) ALDH1A1POLBKMT2AGAAAKR1B1
SCHEMBL9683485 0.70 MAPT (0.60) MAPTALDH1A1POLBIDO1TDO2
SCHEMBL9683229 0.70 MAPT (0.47) MAPTALDH1A1PRKCQAHRMEN1
SCHEMBL3850551 0.69 PRKCQ (0.50) MAPTPRKCQMAPK1EGFRCYP3A4

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
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
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed