SCHEMBL28111506

SCHEMBL28111506

Nc1nc(C(N)C(=O)c2nc(CC(=O)O)cs2)cs1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.61
GABRA5 P31644 1/20 0.61
GABRB2 P47870 1/20 0.61
LMNA P02545 1/20 0.37
ALDH1A1 P00352 6/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL909845 0.78 HSD17B10 (1.00) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL9864403 0.76 HSD17B10 (0.96) HSD17B10GABRA5GABRB2LMNAALDH1A1
Hydrochloric Acid SCHEMBL9694699 0.76 GABRA5 (0.96) HSD17B10GABRA5GABRB2LMNAALDH1A1
Methyl Alcohol SCHEMBL10946415 0.75 HSD17B10 (0.93) HSD17B10GABRA5GABRB2LMNAALDH1A1
Acetic Acid SCHEMBL27742442 0.74 HSD17B10 (0.89) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL7192491 0.73 HSD17B10 (0.46) HSD17B10GABRA5GABRB2LMNAALDH1A1
Hydrochloric Acid SCHEMBL28729982 0.73 HSD17B10 (0.60) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL11130654 0.72 HSD17B10 (0.62) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL28111505 0.70 GABRA5 (0.60) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8112798 0.70 HSD17B10 (0.42) HSD17B10GABRA5GABRB2ALDH1A1MAPT

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
CN-106045937-A Synthesizing method of {2-[2-(2-amino-4-thiazolyl)-amino acetyl]-4-thiazolyl}-acetic acid 杭州诺维和医药技术有限公司 2016-10-26 CN disclosed
CN-106045937-A Synthesizing method of {2-[2-(2-amino-4-thiazolyl)-amino acetyl]-4-thiazolyl}-acetic acid 杭州诺维和医药技术有限公司 2016-10-26 CN disclosed