SCHEMBL3996399

SCHEMBL3996399

O=C1COCCN1Cc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.55
CYP2D6 P10635 1/20 0.55
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.51
TACR1 P25103 1/20 0.51
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
JAK2 O60674 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HTR6 P50406 1/20 0.49
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
HRH3 Q9Y5N1 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HCRTR2 O43614 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
SCHEMBL8563554 0.81 BCHE (0.57) BCHECYP2D6KDM4ELMNAHTT
SCHEMBL2754242 0.80 RAB9A (0.70) BCHECYP2D6KDM4ELMNAHTT
SCHEMBL1856027 0.77 BCHE (0.79) BCHECYP2D6KDM4ELMNAHTT
SCHEMBL1520405 0.76 BCHE (0.57) BCHECYP2D6KDM4ELMNAHTT
SCHEMBL514643 0.73 SIRT2 (0.42)
SCHEMBL1553262 0.72 L3MBTL1 (0.54) CYP2D6LMNAJAK2KMT2ADRD3
SCHEMBL3120511 0.72 BCHE (0.52) BCHECYP2D6KDM4ELMNAHTT
SCHEMBL24975491 0.71 NCF1 (0.54) CYP2D6KDM4ELMNAHTTMAPK1
SCHEMBL31428486 0.71 NCF1 (0.54) CYP2D6KDM4ELMNAHTTMAPK1
SCHEMBL30492135 0.70 HTR6 (0.51) BCHECYP2D6KDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed