SCHEMBL9845627

SCHEMBL9845627

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3cc[n+](NCC#N)cc3)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.67
▸ MAPT P10636 4/20 0.67
▸ HSD17B10 Q99714 4/20 0.66
▸ APEX1 P27695 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ POLB P06746 2/20 0.66
▸ RECQL P46063 2/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ CYP1A2 P05177 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ ABCC4 O15439 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ ADRA1A P35348 1/20 0.64
▸ NR1I2 O75469 4/20 0.64
▸ ESR1 P03372 1/20 0.64
▸ DRD2 P14416 1/20 0.64

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
SCHEMBL9845650 0.94 TDP1 (0.66) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9845771 0.93 TDP1 (0.69) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL8177096 0.92 TDP1 (0.69) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9489625 0.92 TDP1 (0.67) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL8988425 0.92 TDP1 (0.67) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9845645 0.91 TDP1 (0.66) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9490310 0.91 TDP1 (0.66) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL9845592 0.91 TDP1 (0.68) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL10693678 0.91 TDP1 (0.71) TDP1MAPTHSD17B10APEX1ALDH1A1
SCHEMBL8988471 0.91 TDP1 (0.71) TDP1MAPTHSD17B10APEX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416814-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1991-03-13 — — EP claimed
EP-0416814-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1991-03-13 — — EP disclosed
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