SCHEMBL9519450

SCHEMBL9519450

Cn1nnnc1SC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CCR5 P51681 2/20 0.34
POLB P06746 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 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
SCHEMBL9519114 0.90 UBE2M (0.39) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL9521103 0.86 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19MAPTHPGD
SCHEMBL9520608 0.86 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19MAPTHPGD
SCHEMBL9790271 0.84 ALDH1A1 (0.36) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL9519261 0.84 ALDH1A1 (0.36) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL8922233 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL9519325 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL8691844 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL9518858 0.83 ALDH1A1 (0.34) ALDH1A1MAPTHPGDCCR5POLB
SCHEMBL8923969 0.83 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5POLB

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-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed