SCHEMBL7485532

SCHEMBL7485532

O=C(Nc1nnc(Nc2ccccc2)s1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ TP53 P04637 3/20 0.65
▸ DGAT1 O75907 1/20 0.61
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ NTSR1 P30989 1/20 0.59
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ CSNK2A2 P19784 1/20 0.58
▸ CSNK2A1 P68400 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ SRC P12931 1/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57
▸ GLS O94925 3/20 0.56

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
SCHEMBL11666704 0.80 RAB9A (0.59) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL11480689 0.79 CSNK2A2 (0.83) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL2664519 0.79 SMN1; SMN2 (0.67) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL10991652 0.79 GLS (0.72) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL7482173 0.77 NPC1 (0.66) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL13093635 0.77 ILK (0.50) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL2664521 0.75 CA1 (0.76) SMN1; SMN2TP53KMT2AMEN1MAPT
SCHEMBL11473324 0.75 TP53 (0.66) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
N-Phenylbenzamide SCHEMBL8651257 0.75 SIRT1 (0.74) SMN1; SMN2KMT2AMEN1MAPTNPC1
SCHEMBL9795960 0.74 CA2 (1.00) SMN1; SMN2TP53MAPTNPC1RAB9A

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-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 — — EP claimed
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 — — EP disclosed
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