SCHEMBL28303339

SCHEMBL28303339

O=[N+]([O-])c1ccc(CSc2nncn2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ METAP2 P50579 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 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
SCHEMBL10960723 0.78 ALDH1A1 (0.71) MAPTSIRT2ALDH1A1LMNASMN1; SMN2
SCHEMBL28670789 0.77 SIRT2 (0.66) MAPTSIRT2ALDH1A1LMNASMN1; SMN2
SCHEMBL4208096 0.74 SMN1; SMN2 (0.66) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5657358 0.72 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL29371599 0.72 SIRT2 (0.59) MAPTSIRT2ALDH1A1LMNASMN1; SMN2
SCHEMBL16409996 0.71 SIRT2 (1.00) MAPTSIRT2ALDH1A1LMNASMN1; SMN2
SCHEMBL31160341 0.70 SIRT2 (0.66) MAPTSIRT2ALDH1A1LMNASMN1; SMN2
SCHEMBL14426679 0.69 SMN1; SMN2 (0.92) MAPTSIRT2ALDH1A1LMNASMN1; SMN2
SCHEMBL5376333 0.69 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4217085 0.68 MAPT (0.55) MAPTSIRT2ALDH1A1LMNASMN1; SMN2

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
CN-109970668-A A method of preparing the thio -1,2,4- triazole compound of 3- 普济生物科技(台州)有限公司 2019-07-05 — — CN disclosed
Send feedback