SCHEMBL8329299

SCHEMBL8329299

N=C(N)c1ccc2[nH]c(C(=O)c3ccccn3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.48
F10 P00742 5/20 0.48
F7 P08709 5/20 0.48
KMT2A Q03164 1/20 0.41
PLAU P00749 1/20 0.41
PRSS1 P07477 1/20 0.41
PDE10A Q9Y233 6/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
F9 P00740 1/20 0.39
F11 P03951 1/20 0.39

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
SCHEMBL548376 0.88 F2 (0.45) F2F10F7PLAUPRSS1
SCHEMBL4314492 0.85 F10 (0.48) F2F10F7PLAUPRSS1
SCHEMBL7408229 0.84 F2 (0.59) F2F10F7PLAUPRSS1
SCHEMBL4316759 0.83 TPSAB1 (0.48) F2F10F7PLAUPRSS1
SCHEMBL5303343 0.81 PDE10A (0.43) F2F10F7PLAUPRSS1
SCHEMBL9373162 0.79 CCND3 (0.56) KMT2APDE10AKDM4E
SCHEMBL29730336 0.76 F2 (0.71) F2F10F7PLAUPRSS1
SCHEMBL6161244 0.75 F2 (0.81) F2F10F7KMT2APLAU
Hydrochloric Acid SCHEMBL23201161 0.74 F2 (0.79) F2F10F7KMT2APLAU
Hydrochloric Acid SCHEMBL30385750 0.74 F2 (0.79) F2F10F7KMT2APLAU

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 7 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
US-5972969-A TREATING CANDIDA ALBICANS AND CRYPTOCOCCUS NEOFORMANS INFECTIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-10-26 US disclosed
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