SCHEMBL9520047

SCHEMBL9520047

O=C(S[C@H]1C[C@@H](CSc2ccncc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
ECE1 P42892 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRIN2B Q13224 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
SCHEMBL8758724 0.85 ATM (0.44) ATMTDP1ALDH1A1HTTECE1
SCHEMBL8759542 0.85 ATM (0.44) ATMTDP1ALDH1A1HTTECE1
SCHEMBL9519670 0.84 ATM (0.37) ATMTDP1ALDH1A1HTTECE1
SCHEMBL9519787 0.84 ATM (0.41) ATMTDP1ALDH1A1HTTECE1
SCHEMBL9519248 0.84 ATM (0.41) ATMTDP1HTTECE1NPC1
SCHEMBL9520681 0.84 ATM (0.39) ATMTDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL9519437 0.84 MAPT (0.39) ATMTDP1ALDH1A1NPC1SMN1; SMN2
SCHEMBL9519145 0.84 MAPT (0.39) ATMTDP1ALDH1A1NPC1SMN1; SMN2
SCHEMBL9521116 0.83 ATM (0.40) ATMTDP1ALDH1A1HTTECE1
SCHEMBL9519209 0.82 HTT (0.40) ATMTDP1ALDH1A1HTTECE1

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