Piperazine

Piperazine

SCHEMBL28210753

C1CNCCN1.NS(=O)(=O)N1CCNCC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Piperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
NFKB1 P19838 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
HIF1A Q16665 1/20 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
SCHEMBL243962 0.97 KDM4E (0.54) KDM4ECA1CA2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL27814697 0.94 KDM4E (0.52) KDM4ECA1CA2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2592331 0.94 KDM4E (0.52) KDM4ECA1CA2ALDH1A1LMNA
SCHEMBL30440853 0.87 KDM4E (0.58) KDM4ECA1CA2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9934025 0.85 KDM4E (0.56) KDM4ECA1CA2ALDH1A1LMNA
Alcohol SCHEMBL2281519 0.84 KDM4E (0.43) KDM4ECA1CA2ALDH1A1LMNA
SCHEMBL16733020 0.81
Piperidine SCHEMBL16798704 0.79 CA2 (0.59) KDM4ECA1CA2ALDH1A1LMNA
SCHEMBL29868290 0.79 KDM4E (0.48) KDM4ECA1CA2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3986645 0.79 KDM4E (0.39) KDM4ECA1CA2ALDH1A1LMNA

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-107980040-A 1,3,4- oxadiazoles sulfamide derivative as 6 inhibitor of histone deacetylase enzyme and the medical composition containing it 株式会社钟根堂 2018-05-01 CN disclosed
CN-106659700-A Sulfur fluoride (VI) compound and preparation method thereof 斯克里普斯研究所 2017-05-10 CN disclosed