SCHEMBL9520681

SCHEMBL9520681

Cn1nnnc1SC[C@@H]1C[C@H](SC(=O)c2ccccc2)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.35
ELANE P08246 1/20 0.35
CCR5 P51681 3/20 0.35
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9520722 0.90 UBE2M (0.40) ATMALDH1A1TDP1MEN1KMT2A
SCHEMBL9521103 0.85 ALDH1A1 (0.40) ATMALDH1A1CYP1A2CYP2C19TDP1
SCHEMBL9520608 0.85 ALDH1A1 (0.40) ATMALDH1A1CYP1A2CYP2C19TDP1
SCHEMBL9520047 0.84 ATM (0.39) ATMALDH1A1TDP1MEN1KMT2A
SCHEMBL9519670 0.83 ATM (0.37) ATMALDH1A1TDP1MEN1KMT2A
SCHEMBL8758724 0.82 ATM (0.44) ATMALDH1A1TDP1HTTCCR5
SCHEMBL8759542 0.82 ATM (0.44) ATMALDH1A1TDP1HTTCCR5
SCHEMBL9519787 0.81 ATM (0.41) ATMALDH1A1TDP1HTTCCR5
SCHEMBL9519248 0.81 ATM (0.41) ATMTDP1HTTCCR5
SCHEMBL9521116 0.80 ATM (0.40) ATMALDH1A1TDP1MEN1KMT2A

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