SCHEMBL28111505

SCHEMBL28111505

Nc1nc(NCC(=O)c2nc(CC(=O)O)cs2)cs1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.60
GABRB2 P47870 1/20 0.60
HSD17B10 Q99714 1/20 0.60
LMNA P02545 1/20 0.36
GAA P10253 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4807003 0.79 HSD17B10 (0.51) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL909845 0.77 HSD17B10 (1.00) GABRA5GABRB2HSD17B10LMNAGAA
SCHEMBL9864403 0.75 HSD17B10 (0.96) GABRA5GABRB2HSD17B10LMNAGAA
Hydrochloric Acid SCHEMBL9694699 0.75 GABRA5 (0.96) GABRA5GABRB2HSD17B10LMNAGAA
Methyl Alcohol SCHEMBL10946415 0.74 HSD17B10 (0.93) GABRA5GABRB2HSD17B10LMNAGAA
Acetic Acid SCHEMBL27742442 0.73 HSD17B10 (0.89) GABRA5GABRB2HSD17B10LMNAGAA
SCHEMBL12548427 0.71 HSD17B10 (0.54) GABRA5GABRB2HSD17B10LMNAGAA
SCHEMBL11130654 0.71 HSD17B10 (0.62) GABRA5GABRB2HSD17B10LMNAGAA
SCHEMBL28111506 0.70 HSD17B10 (0.61) GABRA5GABRB2HSD17B10LMNAGAA
SCHEMBL20662506 0.69 HSD17B10 (0.51) GABRA5GABRB2HSD17B10LMNAGAA

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