SCHEMBL9258915

SCHEMBL9258915

O=C(OCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](S)C[C@H]1C1OCCO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
MAOB P27338 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9521174 0.87 EPHX1 (0.41) PREPTDP1ATMALDH1A1MAPT
SCHEMBL9263370 0.85 PREP (0.43) PREPTDP1ATMALDH1A1MAPT
SCHEMBL9520655 0.84 PREP (0.44) PREPTDP1ATMALDH1A1MAPT
SCHEMBL9399827 0.84 ALDH1A1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9265506 0.84 PREP (0.47) PREPTDP1ATMALDH1A1MAPT
SCHEMBL9399415 0.83 ALDH1A1 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9259931 0.83 PREP (0.46) PREPTDP1ATMALDH1A1MAPT
Hydrochloric Acid SCHEMBL9399783 0.82 ALDH1A1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9020800 0.81 CCR5 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9020650 0.81 TDP1 (0.44) TDP1ATMALDH1A1MAPTHPGD

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