SCHEMBL9520464

SCHEMBL9520464

Cc1cc(=O)n(-c2cc(C(=O)OC3CCOC3)c(Cl)cc2F)c(=O)n1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
PHGDH O43175 2/20 0.32
DHODH Q02127 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
SCHEMBL9520592 0.91 MAPT (0.32) HTR3AHPGDSMN1; SMN2TSHRMAPT
SCHEMBL9521255 0.88 HPGD (0.37) HTR3AHPGDSMN1; SMN2MAPTMEN1
SCHEMBL9521287 0.88 HTR3A (0.33) HTR3AHPGDSMN1; SMN2TSHRMAPT
SCHEMBL9522986 0.88 MAPT (0.38) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9521382 0.88 MAPT (0.38) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10410241 0.87 HTR3A (0.33) HTR3AHPGDSMN1; SMN2TSHRMAPT
SCHEMBL22745804 0.80 MAPT (0.36) HPGDSMN1; SMN2MAPTKMT2AGAA
SCHEMBL9523079 0.79 MEN1 (0.33) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9521057 0.79 GAA (0.38) HTR3AHPGDSMN1; SMN2MAPTGAA
SCHEMBL9519865 0.79 PPOX (0.35) HPGDSMN1; SMN2MAPTKMT2AGAA

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-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP claimed
US-4941909-A HERBICIDES, PYRIMIDONE BENZOATES HOFFMANN-LA ROCHE INC. (US) 1990-07-17 US disclosed