SCHEMBL9681910

SCHEMBL9681910

Nc1cc(Cl)cnc1NCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 2/20 0.46
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
KDR P35968 1/20 0.43
VNN1 O95497 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAP4K4 O95819 1/20 0.42
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL16489590 0.89 EGFR (0.51) APPALDH1A1EGFRVNN1LMNA
SCHEMBL9681851 0.86 RAB9A (0.51) KDM4EALDH1A1EGFRTP53LMNA
SCHEMBL7835214 0.77 KDM4E (0.55) APPKDM4EALDH1A1EGFRPOLB
SCHEMBL9681363 0.75 MAPT (0.55) ALDH1A1POLBLMNAGAAMAPK1
SCHEMBL5175260 0.74 POLB (0.42) KDM4EALDH1A1EGFRPOLBKDR
SCHEMBL14858719 0.73 KEAP1 (0.47) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL22448311 0.73 DHFR (0.48) APPKDM4EALDH1A1POLBVNN1
SCHEMBL9683129 0.73 MAPT (0.47) APPKDM4EALDH1A1POLBTP53
SCHEMBL11716564 0.72 EGFR (0.51) APPALDH1A1EGFRLMNAMAPK1
SCHEMBL22516594 0.72 APP (0.48) APPKDM4EALDH1A1EGFRTP53

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