SCHEMBL3190484

SCHEMBL3190484

[c]1ccccc1-c1ccccc1-c1ccon1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL467328 0.85 MDM2 (0.35) MDM2KDM4ENPC1MAPTRAB9A
SCHEMBL4059082 0.81 MDM2 (0.41) MDM2KDM4ENPC1MAPTRAB9A
SCHEMBL2761711 0.77 MEN1 (0.32) KDM4ENPC1MAPTRAB9A
SCHEMBL8855149 0.74 MEN1 (0.35) KDM4ENPC1MAPTRAB9A
SCHEMBL322239 0.74 MEN1 (0.35) KDM4ENPC1MAPTRAB9A
SCHEMBL2479674 0.74 MDM2 (0.36) MDM2KDM4ENPC1MAPTRAB9A
SCHEMBL29947384 0.72 IDO1 (0.44) MDM2KDM4ENPC1MAPTRAB9A
SCHEMBL9957877 0.71 KDM4E (0.46) KDM4ENPC1MAPTRAB9A
SCHEMBL4714608 0.68 CASP3 (0.44) KDM4ENPC1MAPTRAB9A
SCHEMBL2122583 0.68 NPC1 (0.45) MDM2KDM4ENPC1MAPTRAB9A

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
US-20100022568-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR EARLY STAGE IDIOPATHIC PULMONARY FIBROSIS Actelion Pharmaceeuticals Ltd. (CH) 2010-01-28 US disclosed