SCHEMBL10338065

SCHEMBL10338065

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3cc[n+](Cc4ccccc4)cc3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.66
▸ MAPT P10636 4/20 0.66
▸ HSD17B10 Q99714 4/20 0.66
▸ NR1I2 O75469 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
▸ ESR1 P03372 2/20 0.66
▸ PGR P06401 2/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ PPARG P37231 1/20 0.66
▸ ADRA1A P35348 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ CYP1A2 P05177 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ ABCC4 O15439 1/20 0.64
▸ LMNA P02545 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
SCHEMBL10693180 0.92 TDP1 (0.68) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL10693043 0.91 TDP1 (0.68) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL10693678 0.90 TDP1 (0.71) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL8988471 0.90 TDP1 (0.71) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL9845579 0.90 TDP1 (0.71) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL10695061 0.89 TDP1 (0.66) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL8177096 0.89 TDP1 (0.69) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL9813320 0.89 TDP1 (0.69) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL9845771 0.89 TDP1 (0.69) TDP1MAPTHSD17B10NR1I2APEX1
SCHEMBL9762908 0.89 TDP1 (0.69) TDP1MAPTHSD17B10NR1I2APEX1

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
JP-2049791-A — — None — — JP disclosed
JP-H0249791-A 3-(1-BENZYLPYRIDINIUM)THIOMETHYLCEPHALOSPORIN DERIVATIVE BANYU PHARMACEUT CO LTD 1990-02-20 — — JP disclosed
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