SCHEMBL14540928

SCHEMBL14540928

Nc1ccc(Oc2ncnc3[nH]c(C(=O)NCCCN4CCOCC4)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
GAA P10253 2/20 0.45
KLK7 P49862 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
SCN9A Q15858 1/20 0.44
LMNA P02545 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
SYK P43405 1/20 0.44
NPC1 O15118 1/20 0.44
MET P08581 1/20 0.43

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
SCHEMBL12411691 0.87 EPHX2 (0.51) MAPTLMNAMET
SCHEMBL14540917 0.76 CCNK (0.44) KDM4EALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL14423725 0.74 KDR (0.52) MAPTLMNASYKMET
SCHEMBL14609650 0.73 CSF1R (0.49)
SCHEMBL12459935 0.72 CD274 (0.79) KDM4EALDH1A1CYP2D6CYP2C9HTT
SCHEMBL10163201 0.70 RAF1 (0.63) SCN9ALMNACD274MET
SCHEMBL1895333 0.70 BRD4 (0.45) KDM4EALDH1A1MAPTCYP1A2GAA
SCHEMBL617886 0.70 CYP2C19 (0.71) KDM4EALDH1A1POLBCYP2D6CYP1A2
SCHEMBL22823029 0.68 SMN1; SMN2 (0.70) KDM4EALDH1A1POLBCYP2D6CYP1A2
SCHEMBL30175940 0.68 KDM4E (0.87) KDM4EALDH1A1MAPTCYP1A2CYP2C19

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
EP-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 EP disclosed