SCHEMBL8319743

SCHEMBL8319743

ClC(COC1CCCCO1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IDO1 P14902 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EP300 Q09472 1/20 0.32
CREBBP Q92793 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
SCHEMBL17844317 0.82 MEN1 (0.43) KDM4CMEN1KMT2ASLC6A3HPGD
SCHEMBL17835751 0.82 MEN1 (0.43) KDM4CMEN1KMT2ASLC6A3HPGD
SCHEMBL17844743 0.78 MEN1 (0.40) KDM4CMEN1KMT2ASLC6A3HPGD
Hydrochloric Acid SCHEMBL6205586 0.75 KDM4C (0.43) KDM4CMEN1KMT2ASLC6A3L3MBTL1
SCHEMBL17846160 0.74 MEN1 (0.41) KDM4CMEN1KMT2ASLC6A3GAA
SCHEMBL7097200 0.74 EPHX1 (0.43) KDM4CMEN1KMT2A
SCHEMBL7330307 0.74 MEN1 (0.39) KDM4CMEN1KMT2ASLC6A3EP300
SCHEMBL14945274 0.74 SLC6A3 (0.39) KDM4CMEN1KMT2ASLC6A3HPGD
SCHEMBL14945265 0.74 SLC6A3 (0.39) KDM4CMEN1KMT2ASLC6A3HPGD
SCHEMBL7215033 0.74 PRMT5 (0.43) MEN1KMT2ACYP2D6IDO1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621037-B1 Pyrido-pyrimidinediones, process for their preparation and their use as pharmaceuticals HOECHST AG (DE) 1999-07-07 EP disclosed
US-5556854-A CARDIOVASCULAR DISORDERS AND/OR NEUROGENERATIVE DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0621037-A1 Pyrido-pyrimidinediones, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-26 EP disclosed