SCHEMBL253234

SCHEMBL253234

O=C(NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1)c1cnc2ncccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 3/20 0.50
STAMBP O95630 3/20 0.50
LMNA P02545 5/20 0.48
HTT P42858 3/20 0.48
MAPK1 P28482 2/20 0.48
GFER P55789 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NTRK1 P04629 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL619180 0.85 HCRTR1 (0.44) LMNAHTTMAPK1GFERL3MBTL1
SCHEMBL253124 0.80 STAMBP (0.44) PSMD14STAMBPMAPK1COPS5
SCHEMBL253706 0.78 MLYCD (0.58) PSMD14STAMBPLMNACYP1A2CYP3A4
SCHEMBL252287 0.76 STAMBP (0.51) PSMD14STAMBPLMNAHTTALDH1A1
SCHEMBL253233 0.75 SYK (0.40) LRRK2
SCHEMBL252709 0.75 STAMBP (0.55) PSMD14STAMBPMAPK1TSHRCOPS5
SCHEMBL248208 0.75 TRPV1 (0.47) PSMD14STAMBPCYP3A4CYP2C19
SCHEMBL249951 0.72 CTSS (0.48) LMNALRRK2
SCHEMBL5697540 0.71 PSMD14 (0.54) PSMD14STAMBPLMNAHTTSMN1; SMN2
SCHEMBL18539645 0.70 STAMBP (0.74) PSMD14STAMBPLMNAHTTMAPK1

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP claimed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed