SCHEMBL6945381

SCHEMBL6945381

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.40
ACE P12821 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.38
ALOX5 P09917 1/20 0.38
CCR5 P51681 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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 0.88 ATM (0.44) ATMTDP1RAB9ANPC1HTT
SCHEMBL8759542 0.88 ATM (0.44) ATMTDP1RAB9ANPC1HTT
SCHEMBL5095110 0.87 ATM (0.43) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL5108204 0.87 ATM (0.43) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL9041010 0.87 ATM (0.43) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL9728021 0.87 ATM (0.43) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL8541738 0.87 ATM (0.43) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL9381292 0.87 ATM (0.43) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL6944029 0.87 ATM (0.40) ATMTDP1HTTCCR5ALDH1A1
Dimethylamine SCHEMBL6944296 0.85 ATM (0.38) ATMTDP1HTTALDH1A1

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-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed