SCHEMBL2733465

SCHEMBL2733465

OCc1cnc(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.60
HTT P42858 1/20 0.58
MAPK1 P28482 2/20 0.53
HPGDS O60760 1/20 0.52
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 5/20 0.46
PDE6D O43924 1/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCL2 P10415 1/20 0.42

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
SCHEMBL11057437 0.85 POLB (0.45) POLBHTTMAPK1HPGDSKMT2A
SCHEMBL6973556 0.84 POLB (0.47) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL11092968 0.83 HPGDS (0.49) POLBHTTHPGDSALDH1A1PDE6D
SCHEMBL14005999 0.82 POLB (0.66) POLBHTTMAPK1KMT2AALDH1A1
Water SCHEMBL11097766 0.82 HPGDS (0.48) POLBHTTHPGDSKMT2AALDH1A1
SCHEMBL3373963 0.80 POLB (0.63) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL7165398 0.80 POLB (0.63) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL11099706 0.78 AR (0.47) POLBMAPK1HPGDSKMT2AALDH1A1
SCHEMBL650440 0.77 TSHR (0.58) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL4418297 0.76 HPGDS (0.51) POLBHPGDSALDH1A1PDE6DALDH2

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-2635619-A1 EPOXY-THIOL COMPOSITIONS WITH IMPROVED STABILITY Henkel Ireland Limited (DE) 2013-09-11 EP disclosed
WO-2012059558-A1 EPOXY-THIOL COMPOSITIONS WITH IMPROVED STABILITY LOCTITE (R&D) LIMITED (IE) 2012-05-10 WO disclosed