SCHEMBL8923751

SCHEMBL8923751

CC(CO)N(O)C(=O)CC(S)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CCR5 P51681 2/20 0.34
MAOB P27338 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 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
SCHEMBL8691023 1.00 HTR2A (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8691484 0.87 HTR2A (0.36) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8924758 0.87 HTR2A (0.36) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8691015 0.85 HTR2A (0.38) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8923746 0.85 HTR2A (0.38) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL9199451 0.83 ALDH1A1 (0.37) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8691025 0.82 HTR2A (0.35) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8697403 0.82 TDP1 (0.41) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL9390729 0.81 HTR2A (0.44) HTR2AALDH1A1MAPTHPGDTDP1
SCHEMBL8697407 0.81 HTR2A (0.44) 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-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed