SCHEMBL9259931

SCHEMBL9259931

O=C(OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1C1SCCCS1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 3/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 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
SCHEMBL9265506 0.97 PREP (0.47) PREPTDP1MAPTATMALDH1A1
SCHEMBL9519307 0.84 PREP (0.42) PREPTDP1MAPTATMALDH1A1
SCHEMBL9399827 0.84 ALDH1A1 (0.45) TDP1MAPTATMALDH1A1HPGD
SCHEMBL9258915 0.83 PREP (0.46) PREPTDP1MAPTATMALDH1A1
SCHEMBL9399415 0.83 ALDH1A1 (0.42) TDP1MAPTATMALDH1A1HPGD
Hydrochloric Acid SCHEMBL9399783 0.82 ALDH1A1 (0.43) TDP1MAPTATMALDH1A1HPGD
SCHEMBL9020650 0.81 TDP1 (0.44) TDP1MAPTATMALDH1A1HPGD
SCHEMBL9020800 0.81 CCR5 (0.42) TDP1MAPTATMALDH1A1HPGD
SCHEMBL9519199 0.81 PREP (0.43) PREPTDP1MAPTATMALDH1A1
SCHEMBL9020217 0.81 CCR5 (0.43) TDP1MAPTATMALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420122-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
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