SCHEMBL8697407

SCHEMBL8697407

CC(O)C(S)C1CC(S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL9390729 1.00 HTR2A (0.44) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8691061 0.88 HTR2A (0.38) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8922560 0.88 HTR2A (0.38) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8697403 0.85 TDP1 (0.41) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8689975 0.85 HTR2A (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8922523 0.84 TDP1 (0.38) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8693510 0.84 DPP8 (0.38) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8924556 0.84 DPP8 (0.38) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8691727 0.84 TDP1 (0.38) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8689896 0.83 DPP8 (0.37) HTR2AALDH1A1MAPTHPGDTDP1

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-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US disclosed