SCHEMBL8225946

SCHEMBL8225946

CN/N=C(\C(=N)c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 3/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
C1S P09871 1/20 0.34
PRSS3 P35030 1/20 0.34
RECQL P46063 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL11572214 0.78 POLB (0.53) GAATDP1MAPTPOLBSMN1; SMN2
SCHEMBL11482485 0.78 POLB (0.53) GAATDP1MAPTPOLBSMN1; SMN2
SCHEMBL11482477 0.78 POLB (0.53) GAATDP1MAPTPOLBSMN1; SMN2
SCHEMBL22101827 0.77 F2 (0.41) GAAF2F10F12F7
SCHEMBL17068076 0.76 CES2 (0.50) GAANPSR1MAPTPOLBSMN1; SMN2
SCHEMBL962604 0.72 ALDH1A1 (0.48) GAANPSR1TDP1MAPTPOLB
SCHEMBL960634 0.70 MAPT (0.61) GAANPSR1TDP1PKMMAPT
SCHEMBL14264702 0.70 GAA (0.41) GAANPSR1TDP1MAPTPOLB
SCHEMBL960636 0.70 MAPT (0.61) GAANPSR1TDP1PKMMAPT
SCHEMBL16814995 0.69 F2 (0.58) TDP1F2F10F12F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021871-A2 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed