SCHEMBL27612856

SCHEMBL27612856

O=C(c1cccnc1F)c1cccnc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.73
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
DHODH Q02127 3/20 0.42
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.41
SLC18A3 Q16572 1/20 0.40
P2RX7 Q99572 1/20 0.40
HTT P42858 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
SCHEMBL5653339 0.86 NAPRT (0.67) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL23458451 0.85 NAPRT (0.59) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL5046047 0.85 NAPRT (0.59) NAPRTKDM4EMAPTALDH1A1NPSR1
SCHEMBL29574424 0.84 NAPRT (1.00) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL28705950 0.84 NAPRT (0.70) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL19280924 0.84 NAPRT (1.00) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL229352 0.84 NAPRT (1.00) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL429687 0.83 NAPRT (0.68) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL1811012 0.83 NAPRT (0.68) NAPRTKDM4ETDP1MAPTALDH1A1
SCHEMBL447126 0.83 NAPRT (0.68) NAPRTKDM4ETDP1MAPTALDH1A1

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
CN-1571787-A Quinuclidine derivatives processes for preparing them and their uses as M2 and/or M3 muscarinic receptor inhibitors UCB SA (BE) 2005-01-26 CN disclosed