SCHEMBL7860059

SCHEMBL7860059

CC(=O)S[C@H]1C[C@@H](Cc2ccccc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
HTT P42858 1/20 0.39
CCR5 P51681 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PLCG1 P19174 1/20 0.38

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
SCHEMBL9039568 0.89 ATM (0.41) ATMTDP1HTTCCR5ALDH1A1
SCHEMBL10862981 0.89 ATM (0.41) ATMTDP1HTTCCR5ALDH1A1
SCHEMBL7859871 0.88 DPP8 (0.40) ATMTDP1PSEN1PSEN2APH1B
SCHEMBL9368309 0.88 ALDH1A1 (0.41) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL10861401 0.88 ALDH1A1 (0.41) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL7859860 0.88 ATM (0.42) ATMTDP1RAB9ACCR5
SCHEMBL9041342 0.87 ATM (0.40) ATMTDP1HTTCCR5ALDH1A1
SCHEMBL10371377 0.87 ALDH1A1 (0.39) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL10390470 0.87 ATM (0.39) ATMTDP1RAB9AHTTALDH1A1
SCHEMBL7860568 0.86 HTT (0.38) ATMTDP1PSEN1PSEN2APH1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed