SCHEMBL9519199

SCHEMBL9519199

CC(=O)S[C@H]1C[C@@H](C2SCCS2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.43
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAOB P27338 1/20 0.36
CCR5 P51681 2/20 0.36
HTT P42858 2/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.35
PLCG1 P19174 1/20 0.35

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
SCHEMBL9519307 0.97 PREP (0.42) PREPATMALDH1A1MAPTHPGD
SCHEMBL9520655 0.86 PREP (0.44) PREPATMALDH1A1MAPTHPGD
SCHEMBL9399680 0.84 CCR5 (0.42) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020388 0.84 ATM (0.41) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9661099 0.84 ALDH1A1 (0.39) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9366233 0.84 ALDH1A1 (0.39) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9366237 0.84 ALDH1A1 (0.39) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020004 0.84 CCR5 (0.41) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9020318 0.84 ATM (0.45) ATMALDH1A1MAPTHPGDTDP1
SCHEMBL9265506 0.84 PREP (0.47) PREPATMALDH1A1MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272455-B1 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-10 EP disclosed
US-5138064-A Chemical intermediate for penicillin derivative FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-11 US disclosed
US-4921852-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-01 US disclosed
EP-0272455-A1 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed