SCHEMBL9520608

SCHEMBL9520608

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 3/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL9521103 0.91 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19LMNAMEN1
SCHEMBL9520636 0.89 UBE2M (0.42) ALDH1A1MEN1KMT2AHTTATM
SCHEMBL9519450 0.86 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C19LMNAMEN1
SCHEMBL9520681 0.85 ATM (0.39) ALDH1A1CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9519145 0.81 MAPT (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2ATM
SCHEMBL9520239 0.80 UBE2M (0.42) ALDH1A1MEN1KMT2AHTTATM
SCHEMBL9518928 0.80 TDP1 (0.35) ALDH1A1LMNAHTTATMMAPT
SCHEMBL10699078 0.78 TDP1 (0.39) ALDH1A1LMNAKMT2AATMMAPT
SCHEMBL9519619 0.78 TDP1 (0.39) ALDH1A1HTTATMMAPTHPGD
SCHEMBL9520226 0.78 TDP1 (0.39) ALDH1A1LMNAKMT2AATMMAPT

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