Piperazine

Piperazine

SCHEMBL1508698

C1CNCCN1.COc1ccc(C[C@@H](OP(=O)(O)O)c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O

nearest known ligand 0.47

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
TUBB1 Q9H4B7 4/20 0.42
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
LDHA P00338 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 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
SCHEMBL296731 0.81 TUBB1 (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Niacinamide SCHEMBL1508289 0.80 MAPK1 (0.45) KDM4EALDH1A1L3MBTL1CYP3A4
SCHEMBL28654468 0.79 TUBB1 (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28659072 0.78 TUBB1 (0.47) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13991618 0.74 TUBB4A (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1508665 0.72 TUBB1 (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19514765 0.71 TUBB1 (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL5980835 0.69 TUBB1 (0.85) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25657154 0.68 LDHA (0.53) LDHAALDH1A1ALOX15ALOX12
SCHEMBL28655383 0.68 KDM4E (0.41) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
EP-2289521-A2 Compositions and methods for use in tergeting vascular destruction ARIZONA BOARD OF REGENTS (US) 2011-03-02 EP claimed