SCHEMBL16099545

SCHEMBL16099545

O=CCc1ccc2c(c1)c1ccccc1n2CCC(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
POLB P06746 3/20 0.51
PTGER4 P35408 1/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
FDFT1 P37268 2/20 0.39
TP53 P04637 3/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
CYP19A1 P11511 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38

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
SCHEMBL6351807 0.86 POLB (0.67) MAPTPOLBPTGER4KDM4ELMNA
SCHEMBL16099248 0.86 POLB (0.51) MAPTPOLBPTGER4KDM4ELMNA
SCHEMBL16093698 0.82 ALDH1A1 (0.58) MAPTPOLBPTGER4KDM4ELMNA
SCHEMBL16099079 0.76 KDM4E (0.50) MAPTPOLBPTGER4KDM4ELMNA
SCHEMBL16099544 0.75 ALDH1A1 (0.66) MAPTPOLBKDM4ELMNACNR2
SCHEMBL4726731 0.74 KMT2A (0.54) MAPTPOLBPTGER4KDM4ELMNA
SCHEMBL14839671 0.71 PTGER4 (0.47) MAPTPOLBPTGER4KDM4ELMNA
SCHEMBL16100095 0.69 CYP19A1 (0.42) MAPTPOLBKDM4EKMT2ACYP19A1
SCHEMBL8181203 0.68 SIGMAR1 (0.49) MAPTPOLBKDM4EMAPK1ALDH1A1
SCHEMBL28407053 0.67 POLB (0.47) MAPTPOLBPTGER4KDM4EMAPK1

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-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO disclosed