SCHEMBL20615643

SCHEMBL20615643

COc1ncccc1OC(=O)N1CCC(CNC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
GRIN2B Q13224 2/20 0.48
KMT2A Q03164 2/20 0.48
F10 P00742 7/20 0.47
AR P10275 1/20 0.47
F2 P00734 2/20 0.47
PLG P00747 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MCHR1 Q99705 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
SCHEMBL20616364 0.93 F10 (0.49) KDM4EPKMF10F2PLG
SCHEMBL20616361 0.83 KDM4E (0.51) KDM4EPKMKMT2AF10AR
SCHEMBL20615820 0.83 F10 (0.48) KDM4EPKMGRIN2BKMT2AF10
SCHEMBL20616368 0.81 KDM4E (0.53) KDM4EPKMKMT2AF10AR
SCHEMBL20615642 0.81 IDO1 (0.49) GRIN2B
SCHEMBL20601051 0.81 IDO1 (0.49) GRIN2B
SCHEMBL20615754 0.81 KDM4E (0.50) KDM4EPKMF10F2PLG
SCHEMBL20615649 0.79 KDM4E (0.60) KDM4EPKMKMT2AF2PLG
SCHEMBL20615646 0.76 KDM4E (0.79) KDM4EPKMKMT2AF2PLG
SCHEMBL20616363 0.75 IDO1 (0.53) ALDH1A1NAMPT

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
WO-2019003141-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed