SCHEMBL9520592

SCHEMBL9520592

Cc1cc(=O)n(-c2cc(C(=O)OC3COCOC3)c(Cl)cc2F)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
HTR3A P46098 4/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR3E A5X5Y0 2/20 0.30
HTR3B O95264 2/20 0.30
HTR3D Q70Z44 2/20 0.30
HTR3C Q8WXA8 2/20 0.30

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
SCHEMBL9520464 0.91 HTR3A (0.35) MAPTTSHRHTR3AKMT2AMEN1
SCHEMBL9521255 0.88 HPGD (0.37) MAPTHTR3AKMT2AMEN1HPGD
SCHEMBL9521366 0.88 HTR3A (0.31) MAPTTSHRHTR3A
SCHEMBL9522986 0.87 MAPT (0.38) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL9521382 0.87 MAPT (0.38) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL9523079 0.84 MEN1 (0.33) MAPTKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL22745804 0.81 MAPT (0.36) MAPTKMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL9521287 0.79 HTR3A (0.33) MAPTTSHRHTR3AKMT2AMEN1
SCHEMBL9468954 0.79 MAPT (0.35) MAPTKMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL9521057 0.78 GAA (0.38) MAPTHTR3AHPGDSMN1; SMN2CYP1A2

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-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP claimed