SCHEMBL2905936

SCHEMBL2905936

Nc1nccc(C(=O)O)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.55
KDM4E B2RXH2 5/20 0.46
KDM4C Q9H3R0 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4A O75164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KDM6B O15054 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
LMNA P02545 1/20 0.46
KDM5A P29375 1/20 0.45
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.41

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
SCHEMBL83616 0.79 SMN1; SMN2 (0.59) NAPRTKDM4EKDM4CL3MBTL1ALDH1A1
SCHEMBL18226305 0.79 NAPRT (0.59) NAPRTKDM4EKDM4CL3MBTL1ALDH1A1
SCHEMBL29486104 0.79 SMN1; SMN2 (0.59) NAPRTKDM4EKDM4CL3MBTL1ALDH1A1
SCHEMBL3630664 0.78 GAA (0.51) KDM4EALDH1A1TDP1MAPTTSHR
SCHEMBL27488847 0.78 SMN1; SMN2 (0.57) NAPRTKDM4EKDM4CL3MBTL1ALDH1A1
SCHEMBL19857454 0.78 NAPRT (0.57) NAPRTKDM4EKDM4CL3MBTL1ALDH1A1
SCHEMBL5355672 0.78 NAPRT (0.57) NAPRTKDM4EKDM4CL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL18226370 0.78 NAPRT (0.57) NAPRTKDM4EKDM4CL3MBTL1ALDH1A1
SCHEMBL19857453 0.78 KDM4E (0.60) KDM4EKDM4CL3MBTL1ALDH1A1KDM4A
SCHEMBL3667384 0.76 SMN1; SMN2 (0.55) NAPRTKDM4EKDM4CL3MBTL1ALDH1A1

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-2217234-A2 COMBINATIONS OF MEK INHIBITORS WITH MTOR INHIBITORS AstraZeneca AB (SE) 2010-08-18 EP disclosed
WO-2009050506-A2 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-23 WO disclosed