SCHEMBL15468517

SCHEMBL15468517

CCC1CCN(Cc2cccnc2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
RAD52 P43351 1/20 0.46
CXCR4 P61073 5/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
ALOX12 P18054 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL12767598 0.81 CXCR4 (0.44) KDM4EMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL19464251 0.80 KDM4E (0.59) KDM4EMAPTSMN1; SMN2NPC1BLM
SCHEMBL12766996 0.77 HRH1 (0.40) KDM4EMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL14371569 0.77 ALDH1A1 (0.52) KDM4EMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL13512585 0.75 KDM4E (0.61) KDM4EKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12424275 0.74 SCN5A (0.45) ACHEBCHECYP2C19HIF1AATM
SCHEMBL16888834 0.73 ATM (0.68) KDM4EKMT2AMEN1CXCR4ALDH1A1
SCHEMBL14032714 0.71 ALDH1A1 (0.56) CXCR4ALDH1A1BRD4ATM
SCHEMBL6211339 0.71 NR2F2 (0.47) KDM4EMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL5778746 0.71 CXCR4 (0.46) KDM4EMAPTKMT2ASMN1; SMN2MEN1

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-2493876-B1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER (US) 2014-02-12 EP disclosed