SCHEMBL8967636

SCHEMBL8967636

O=CNc1ccc(F)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.53
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM5A P29375 1/20 0.33
CXCR5 P32302 1/20 0.33
RAB9A P51151 3/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL11537315 0.87 PABPC1 (0.64) PABPC1ALDH1A1TSHRKEAP1NFE2L2
SCHEMBL15453221 0.78 PABPC1 (0.59) PABPC1ALDH1A1TSHRKEAP1GAA
SCHEMBL29506423 0.78 PABPC1 (0.59) PABPC1ALDH1A1TSHRKEAP1GAA
SCHEMBL14384429 0.76 IDO1 (0.57) PABPC1
SCHEMBL14855633 0.76 PABPC1 (0.53) PABPC1ALDH1A1TSHRSLC40A1MEN1
SCHEMBL13611705 0.74 PABPC1 (0.51) PABPC1ALDH1A1TSHR
SCHEMBL514306 0.74 RAB9A (0.50) PABPC1ALDH1A1TSHRHTTGAA
SCHEMBL28858385 0.73 PABPC1 (0.50) PABPC1ALDH1A1TSHRHTTNPSR1
SCHEMBL6625263 0.72 TDP1 (0.38) ALDH1A1TSHRKEAP1NFE2L2SLC40A1
SCHEMBL2091838 0.72 ALDH1A1 (0.46) PABPC1ALDH1A1HTTSMN1; SMN2KDM5A

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
US-5530138-A A PYRROLIZINE DERIVATIVE; EFFECTIVE IN THE TREATMENT OF SENILE DEMENTIA SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-06-25 US disclosed
EP-0647642-A1 1-Azabicyclo(3.3.0)octane derivatives and their use SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-04-12 EP disclosed