SCHEMBL9519787

SCHEMBL9519787

O=C(S[C@H]1C[C@@H](CSC(F)F)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ECE1 P42892 1/20 0.38
CCR5 P51681 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
BCHE P06276 1/20 0.35
MAPT P10636 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
SCHEMBL8759542 0.88 ATM (0.44) ATMTDP1ECE1CCR5RAB9A
SCHEMBL8758724 0.88 ATM (0.44) ATMTDP1ECE1CCR5RAB9A
SCHEMBL9519248 0.86 ATM (0.41) ATMTDP1ECE1CCR5RAB9A
SCHEMBL9521116 0.85 ATM (0.40) ATMTDP1ECE1CCR5RAB9A
SCHEMBL9520047 0.84 ATM (0.39) ATMTDP1ECE1CCR5RAB9A
SCHEMBL9519209 0.84 HTT (0.40) ATMTDP1ECE1CCR5RAB9A
SCHEMBL9521056 0.84 DPP8 (0.41) ATMTDP1ECE1RAB9ANPC1
SCHEMBL6945381 0.83 ATM (0.45) ATMTDP1CCR5RAB9ANPC1
SCHEMBL9519252 0.83 ATM (0.38) ATMTDP1ECE1RAB9ANPC1
SCHEMBL9519619 0.83 TDP1 (0.39) ATMTDP1RAB9AALDH1A1HTT

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