SCHEMBL9790271

SCHEMBL9790271

CC(C)(C)[Si](C)(C)OC1CC(CSc2ccncc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.34
CCR5 P51681 2/20 0.34
NPC1 O15118 2/20 0.33
F10 P00742 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 2/20 0.33
PAX8 Q06710 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL9519261 1.00 ALDH1A1 (0.36) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL8922233 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL8691844 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL9519325 0.87 ALDH1A1 (0.38) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL8693099 0.86 ALDH1A1 (0.37) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL8923969 0.86 ALDH1A1 (0.37) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL9369560 0.85 ALDH1A1 (0.40) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL8923324 0.85 ALDH1A1 (0.40) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL8689878 0.85 ALDH1A1 (0.40) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL9366344 0.85 ALDH1A1 (0.40) ALDH1A1MAPTHPGDL3MBTL1POLB

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
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed