SCHEMBL8149059

SCHEMBL8149059

CC1=NCCN1CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
APOBEC3A P31941 1/20 0.30
RECQL P46063 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL18198890 0.84 KDM4E (0.45) KDM4EALDH1A1MAPTAPOBEC3ARECQL
SCHEMBL14255598 0.78
SCHEMBL18154850 0.77 ALDH1A1 (0.33) KDM4EALDH1A1MAPTLMNARECQL
SCHEMBL1831917 0.77
SCHEMBL7869498 0.77
SCHEMBL25978088 0.76 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL25009530 0.75 KDM4E (0.40) KDM4EALDH1A1LMNA
SCHEMBL17187510 0.75 KDM4E (0.50) KDM4EALDH1A1MAPTAPOBEC3ARECQL
SCHEMBL25978090 0.74 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL8143727 0.73 KDM4E (0.49) KDM4EALDH1A1

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
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed