SCHEMBL7698253

SCHEMBL7698253

CCOC(=O)c1cc(CN2CCN(C)CC2)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MPO P05164 1/20 0.43
KMT2A Q03164 6/20 0.43
FAAH O00519 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL1233249 0.80 MPO (0.49) KDM4EALDH1A1MAPTGAAMPO
SCHEMBL7697931 0.79 MPO (0.48) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL6778177 0.77 MPO (0.47) KDM4EALDH1A1MAPTGAAMPO
SCHEMBL20521730 0.77 MPO (0.47) KDM4EALDH1A1MAPTGAAMPO
SCHEMBL7703560 0.77 MPO (0.47) KDM4EALDH1A1MAPTGAAMPO
SCHEMBL7697875 0.76 MPO (0.47) ALDH1A1TDP1MAPTGAAMPO
SCHEMBL731177 0.75 MPO (0.46) KDM4EALDH1A1MAPTGAAMPO
SCHEMBL2255842 0.74 SMN1; SMN2 (0.46) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL12126259 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1233517 0.74 BAZ2B (0.54) KDM4EMAPTGAAMPOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed