SCHEMBL21088709

SCHEMBL21088709

CC(C)(C)OC(=O)c1ccc(CN2CCC(NC3CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.53
KDM4E B2RXH2 1/20 0.51
KDM1A O60341 9/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD4 P21917 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL15033023 0.85 KDM4E (0.50) KDM4EKDM1AMEN1KMT2ADRD4
SCHEMBL28175300 0.85 KDM4E (0.50) KDM4EKDM1AMEN1KMT2ADRD4
SCHEMBL17963504 0.84 KDM4E (0.65) KDM4EKDM1AMEN1KMT2A
SCHEMBL20843153 0.84 KDM1A (0.53) KDM4EKDM1AMEN1KMT2ADRD4
SCHEMBL12814152 0.84 KDM1A (0.53) KDM4EKDM1ADRD4
SCHEMBL17963554 0.84 KDM4E (0.55) KDM4EKDM1ADRD4SIRT2SIRT1
SCHEMBL20843175 0.83 KDM1A (0.58) KDM4EKDM1ADRD4
SCHEMBL20843229 0.82 KDM1A (0.52) KDM4EKDM1ADRD4SIRT2SIRT1
SCHEMBL12813914 0.82 KDM4E (0.48) KDM4EKDM1AMEN1KMT2ADRD4
SCHEMBL17987974 0.82 KDM1A (0.52) KDM4EKDM1ADRD4

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-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed