SCHEMBL3634145

SCHEMBL3634145

O=C(NC(F)(F)F)c1cccnc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NAPRT Q6XQN6 2/20 0.41
LMNA P02545 4/20 0.40
EGLN1 Q9GZT9 2/20 0.40
POLB P06746 1/20 0.40
P2RX7 Q99572 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL27515551 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBTDP1GAA
SCHEMBL27496344 0.81 PRKCI (0.58) SMN1; SMN2NAPRTLMNAPOLBP2RX7
SCHEMBL93650 0.80 GAA (0.48) SMN1; SMN2NAPRTLMNAPOLBP2RX7
SCHEMBL28108390 0.80 PARP1 (0.58) SMN1; SMN2LMNAEGLN1KDM4ETSHR
SCHEMBL2431130 0.78 NSD2 (0.62) SMN1; SMN2LMNAPOLBHDAC6KDM4E
SCHEMBL107347 0.77 P2RX7 (0.66) NAPRTP2RX7KDM4ETDP1TSHR
SCHEMBL26336052 0.77 P2RX7 (0.43) SMN1; SMN2NAPRTLMNAP2RX7KDM4E
SCHEMBL28841192 0.76 PARP1 (0.49) SMN1; SMN2LMNAP2RX7TLR7KDM4E
SCHEMBL107538 0.75 NAPRT (0.67) SMN1; SMN2NAPRTLMNAEGLN1KDM4E
SCHEMBL29514689 0.75 NAPRT (0.67) SMN1; SMN2NAPRTLMNAEGLN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152077-A1 USE OF PYRIDINE-2-OXY-3-CARBONAMIDES AS SAFENERS Bayer CropScience AG (DE) 2010-02-17 EP disclosed
WO-2008131861-A1 USE OF PYRIDINE-2-OXY-3-CARBONAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-11-06 WO disclosed