SCHEMBL5794628

SCHEMBL5794628

C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\O)C3(N)NC=CS3)[C@H]2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.56
MAPT P10636 2/20 0.56
ABCC4 O15439 1/20 0.56
CNR1 P21554 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
SPOP O43791 12/20 0.49
APAF1 O14727 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
APEX1 P27695 1/20 0.48
PLCG1 P19174 1/20 0.48
ABCC2 Q92887 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5509704 0.89 TDP1 (0.48) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481759 0.74 TDP1 (0.51) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL17249474 0.73 TDP1 (0.56) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10385707 0.73 TDP1 (0.58) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL14458878 0.73 TDP1 (0.58) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL14029032 0.73 TDP1 (0.58) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL14389917 0.73 TDP1 (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9999529 0.72 TDP1 (0.72) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL5919457 0.72 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1
Cefdinir SCHEMBL1559599 0.72 TDP1 (1.00) TDP1MAPTABCC4CNR1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006010978-A1 CEFDINIR POLYMORPHIC FORMS, AND IMIDAZOLE SALT WOCKHARDT LIMITED (IN) 2006-02-02 WO disclosed