SCHEMBL9620945

SCHEMBL9620945

O=C(Oc1ccc2c(c1)CC[C]=C2)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
GRM5 P41594 1/20 0.44
PARP10 Q53GL7 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
POLB P06746 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9621014 0.82 KMT2A (0.43) KMT2AMAPTMEN1TDP1MAOA
SCHEMBL9621139 0.80 MAPT (0.43) KMT2AMAPTMEN1TDP1CYP3A4
SCHEMBL3591812 0.79 KMT2A (0.54) KMT2AMAPTMEN1TDP1MAOA
SCHEMBL9720000 0.74 KMT2A (0.58) KMT2AMAPTMEN1TDP1MAOA
SCHEMBL9921306 0.73 KMT2A (0.54) KMT2AMAPTMEN1TDP1MAOA
SCHEMBL29423896 0.73 KMT2A (0.54) KMT2AMAPTMEN1TDP1MAOA
SCHEMBL2921166 0.70 GRM5 (0.64) KMT2AMAPTMEN1TDP1MAOA
SCHEMBL725405 0.70 PARP10 (0.77) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL1785471 0.69 KMT2A (0.69) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL2926301 0.69 KMT2A (0.57) KMT2AMAPTMEN1TDP1MAOA

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
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
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed