SCHEMBL9620797

SCHEMBL9620797

COc1cc2c(c([N+](=O)[O-])c1OC)CC[C]=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.40
SOST Q9BQB4 1/20 0.36
PTGS2 P35354 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
TUBB1 Q9H4B7 2/20 0.34

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
SCHEMBL9620795 0.82 TDP1 (0.41) PKMHTTPTGS2ALDH1A1TDP1
SCHEMBL9621166 0.79 ATM (0.41) TDP1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL9620762 0.71 ALDH1A1 (0.33) ALDH1A1TDP1KMT2ATSHRMEN1
SCHEMBL3081511 0.70 ALDH1A1 (0.49) PKMHTTMCL1SOSTPTGS2
SCHEMBL9621177 0.69 SIRT6 (0.40) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11197453 0.69 PKM (0.56) PKMHTTMCL1PTGS2TUBB4A
SCHEMBL14495097 0.69 LMNA (0.46) PKMHTTMCL1SOSTPTGS2
SCHEMBL14495088 0.69 MCL1 (0.43) PKMHTTMCL1SOSTPTGS2
SCHEMBL2846191 0.66 PKM (0.53) PKMHTTMCL1PTGS2TUBB4A
SCHEMBL11572355 0.66 HTT (0.57) PKMHTTMCL1PTGS2TUBB4A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed