SCHEMBL8690719

SCHEMBL8690719

O=Cc1cn(Cc2cc(F)ccc2F)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.76
SMN1; SMN2 Q16637 10/20 0.76
HTT P42858 6/20 0.76
LMNA P02545 5/20 0.73
TDP1 Q9NUW8 2/20 0.67
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
MAPT P10636 5/20 0.49
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL29071609 0.90 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL4357272 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL30487286 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL15503856 0.85 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8690446 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL22001276 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL30487284 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL29071626 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8685876 0.80 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8812821 0.78 PARP1 (0.74) ALDH1A1SMN1; SMN2HTTLMNATDP1

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-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed