SCHEMBL7499441

SCHEMBL7499441

Nc1nc(CO/N=C\C(=S)Oc2nc3ccccc3s2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NOS1 P29475 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL5450333 0.77 MAPT (0.39) MAPTALDH1A1TP53HTTNPSR1
SCHEMBL5450341 0.77 POLB (0.40) MAPTALDH1A1HTTNPSR1NPC1
SCHEMBL8940333 0.75 ALDH1A1 (0.39) MAPTALDH1A1HTTNPSR1NPC1
SCHEMBL7497943 0.73 MAPT (0.43) MAPTALDH1A1TP53HTTNPSR1
SCHEMBL4824847 0.69 GABRA5 (0.47) MAPTALDH1A1TP53HTTNPSR1
SCHEMBL2789164 0.69 GABRA5 (0.51) MAPTALDH1A1TP53HTTNPSR1
SCHEMBL3999942 0.69 GABRA5 (0.51) MAPTALDH1A1TP53HTTNPSR1
Hydrochloric Acid SCHEMBL8913011 0.68 GABRA5 (0.50) MAPTALDH1A1TP53HTTNPSR1
SCHEMBL10719546 0.68 SMN1; SMN2 (0.51) MAPTALDH1A1NPSR1PTGS1PTGS2
SCHEMBL7785401 0.67 ALDH1A1 (0.36) MAPTALDH1A1TP53HTTNPSR1

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-1178992-A2 PROCESS FOR THE PREPARATION OF CEFPODOXIME ACID Ranbaxy Laboratories, Limited (IN) 2002-02-13 EP disclosed
WO-2000068234-A2 PROCESS FOR THE PREPARATION OF CEFPODOXIME ACID RANBAXY LABORATORIES LIMITED (IN) 2000-11-16 WO disclosed