SCHEMBL9520722

SCHEMBL9520722

CN(C)CCn1nnnc1SC[C@@H]1C[C@H](SC(=O)c2ccccc2)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
ATM Q13315 1/20 0.36
CCR5 P51681 6/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ECE1 P42892 1/20 0.33
HTT P42858 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
SCHEMBL9520681 0.90 ATM (0.39) ATMCCR5ALDH1A1SMN1; SMN2TDP1
SCHEMBL9520636 0.86 UBE2M (0.42) UBE2MDCUN1D1ATMCCR5ALDH1A1
SCHEMBL9520239 0.86 UBE2M (0.42) UBE2MDCUN1D1ATMCCR5ALDH1A1
SCHEMBL9519114 0.81 UBE2M (0.39) UBE2MDCUN1D1ATMCCR5ALDH1A1
SCHEMBL9520047 0.80 ATM (0.39) ATMCCR5ALDH1A1SMN1; SMN2TDP1
SCHEMBL9519670 0.79 ATM (0.37) ATMCCR5ALDH1A1TDP1MEN1
SCHEMBL8759542 0.79 ATM (0.44) ATMCCR5ALDH1A1TDP1ECE1
SCHEMBL8758724 0.79 ATM (0.44) ATMCCR5ALDH1A1TDP1ECE1
SCHEMBL9519787 0.78 ATM (0.41) ATMCCR5ALDH1A1TDP1ECE1
SCHEMBL9519248 0.78 ATM (0.41) ATMCCR5TDP1ECE1HTT

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