SCHEMBL3837348

SCHEMBL3837348

CN(C(=O)c1cccc(Cl)c1Cl)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.78
TSHR P16473 1/20 0.55
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.50
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 1/20 0.46
GPBAR1 Q8TDU6 3/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL3455835 0.88 POLB (1.00) POLBTSHRTP53LMNAEGFR
SCHEMBL9001638 0.82 POLB (0.75) POLBLMNAEGFRERBB2KDM4E
SCHEMBL6102166 0.80 TP53 (0.80) POLBTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5233242 0.78 POLB (0.79) POLBTSHRTP53LMNAEGFR
SCHEMBL3457031 0.77 POLB (0.64) POLBLMNAEGFRERBB2KDM4E
SCHEMBL30370193 0.75 POLB (0.76) POLBTSHRTP53LMNAEGFR
SCHEMBL1039579 0.75 POLB (0.66) POLBTSHRLMNAEGFRERBB2
SCHEMBL529870 0.75 POLB (0.66) POLBTSHREGFRERBB2KDM4E
SCHEMBL9303595 0.75 POLB (0.60) POLBKDM4EKMT2ASIGMAR1MAOB
SCHEMBL14490114 0.75 KMT2A (0.61) POLBLMNAEGFRERBB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP claimed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP claimed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO claimed