SCHEMBL8926056

SCHEMBL8926056

CN(C(N)=O)C(=O)CSC[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
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CCR5 P51681 2/20 0.35
ATM Q13315 1/20 0.35
MAOB P27338 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 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
SCHEMBL8691211 1.00 ALDH1A1 (0.37) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL8694749 0.93 ALDH1A1 (0.37) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL8693508 0.93 ALDH1A1 (0.37) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL8691040 0.91 ALDH1A1 (0.37) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL8925226 0.91 ALDH1A1 (0.37) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL9519172 0.90 RAB9A (0.40) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL8691489 0.89 HTR2A (0.35) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL8926042 0.88 ALDH1A1 (0.35) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL8693771 0.88 ALDH1A1 (0.35) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL8923238 0.88 ALDH1A1 (0.36) ALDH1A1MAPTHPGDTDP1CCR5

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