SCHEMBL7860693

SCHEMBL7860693

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
CCR5 P51681 4/20 0.43
ATM Q13315 1/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 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
SCHEMBL8781804 0.87 TDP1 (0.42) TDP1CCR5ATMRAB9ANPC1
SCHEMBL7805543 0.87 TDP1 (0.43) TDP1CCR5ATMRAB9ANPC1
SCHEMBL9521184 0.86 TDP1 (0.42) TDP1CCR5ATMRAB9ANPC1
SCHEMBL10706956 0.86 TDP1 (0.42) TDP1CCR5ATMRAB9ANPC1
SCHEMBL9265469 0.86 DPP4 (0.43) TDP1CCR5ATMRAB9AALDH1A1
SCHEMBL7805572 0.86 TDP1 (0.42) TDP1CCR5ATMRAB9ANPC1
SCHEMBL9519179 0.86 TDP1 (0.42) TDP1CCR5ATMRAB9ANPC1
SCHEMBL9138797 0.85 TDP1 (0.42) TDP1CCR5ATMRAB9ANPC1
SCHEMBL7811582 0.85 TDP1 (0.43) TDP1CCR5ATMALDH1A1
SCHEMBL9569904 0.85 TDP1 (0.43) TDP1CCR5ATMRAB9AALDH1A1

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