SCHEMBL28078038

SCHEMBL28078038

O=C(O)CN1CCN(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.43
FABP7 O15540 2/20 0.43
FABP5 Q01469 2/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.42
CACNA1G O43497 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL31398326 0.96 KDM4E (0.46) KDM4EKMT2AFABP7FABP5POLB
SCHEMBL31505489 0.96 KDM4E (0.46) KDM4EKMT2AFABP7FABP5POLB
SCHEMBL119822 0.96 KDM4E (0.46) KDM4EKMT2AFABP7FABP5POLB
SCHEMBL30481198 0.96 KDM4E (0.46) KDM4EKMT2AFABP7FABP5POLB
Water SCHEMBL4955373 0.95 KDM4E (0.45) KDM4EKMT2AFABP7FABP5POLB
SCHEMBL3206093 0.92 KDM4E (0.43) KDM4EKMT2AFABP7FABP5POLB
SCHEMBL31542622 0.86 CYP1A2 (0.45) KDM4EKMT2APOLBALDH1A1CYP1A2
SCHEMBL13327274 0.85 POLB (0.52) KMT2AFABP7FABP5POLBALDH1A1
SCHEMBL22397770 0.85 POLB (0.52) KMT2AFABP7FABP5POLBALDH1A1
SCHEMBL3219970 0.83 FABP5 (0.49) KMT2AFABP7FABP5POLBALDH1A1

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
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN disclosed