SCHEMBL2941580

SCHEMBL2941580

O=C(Nc1cccc(Oc2ccccc2)c1)N(S)C(=O)c1cc2cnccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
BTK Q06187 1/20 0.43
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
KDR P35968 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ROCK1 Q13464 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
IMPDH2 P12268 1/20 0.40
PLAU P00749 1/20 0.40
NPY5R Q15761 1/20 0.39

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
Hydrochloric Acid SCHEMBL2910330 0.99 RAB9A (0.43) RAB9ALMNAMAPTHPGDBTK
SCHEMBL2910244 0.92 NPY5R (0.44) RAB9ALMNAMAPTHPGDKDR
SCHEMBL4360388 0.88 RAB9A (0.50) RAB9ALMNAMAPTHPGDF13A1
SCHEMBL2914956 0.81 MAPT (0.43) RAB9ALMNAMAPTHPGDBTK
SCHEMBL2910241 0.80 ALDH1A1 (0.62) RAB9ALMNAMAPTHPGDALDH1A1
SCHEMBL2919940 0.80 MAPT (0.44) RAB9ALMNAMAPTHPGDBTK
Hydrochloric Acid SCHEMBL2910327 0.80 ALDH1A1 (0.61) RAB9ALMNAMAPTHPGDALDH1A1
SCHEMBL4361554 0.77 SIRT2 (0.49) RAB9ALMNAMAPTHPGDALDH1A1
SCHEMBL4363710 0.77 NPC1 (0.46) RAB9ALMNAMAPTHPGDALDH1A1
SCHEMBL2944777 0.75 S1PR1 (0.44) LMNAMAPTSMN1; SMN2

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
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP claimed