SCHEMBL8677635

SCHEMBL8677635

CC(C)NC(=N)c1ccc2[nH]c(-c3ccco3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX5 P09917 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHEK1 O14757 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 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
SCHEMBL549168 0.86 HDAC6 (0.39) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL11298541 0.81 HDAC6 (0.44) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL8677683 0.81 F2 (0.54) ALDH1A1RAB9AKDM4ESMN1; SMN2ALOX5
SCHEMBL20550457 0.77 ALDH1A1 (0.59) ALDH1A1RAB9AKDM4ESMN1; SMN2ALOX5
SCHEMBL6879854 0.74 MAPT (0.42) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL6869683 0.74 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1POLBKMT2A
SCHEMBL6879873 0.74 MAPT (0.42) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL6880977 0.74 F10 (0.48) ALDH1A1F2F10F7
SCHEMBL20550628 0.74 ALOX5 (0.55) ALDH1A1RAB9AKDM4ESMN1; SMN2ALOX5
SCHEMBL9100846 0.73 DDAH1 (0.44) ALDH1A1GAAMAPK1F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831832-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-01 EP claimed
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO claimed
WO-1996040145-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO claimed
EP-0831832-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-01 EP disclosed
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed
WO-1996040145-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed