SCHEMBL28601361

SCHEMBL28601361

Cc1nc2cc(N=NC[SH](=O)=O)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TP53 P04637 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL28601366 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL19672580 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL14549411 0.72 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL15880406 0.69 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL28605539 0.68 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL2089542 0.67 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL28592966 0.66 MEN1 (0.49) SMN1; SMN2ALDH1A1MAPTGAANPC1
SCHEMBL28605572 0.66 MEN1 (0.45) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL92781 0.66 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL14194336 0.66 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTGAAHTT

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-113024430-A Process for converting substituted arylamines to arylazomethylsulfones 天津师范大学 2021-06-25 — — CN disclosed
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