SCHEMBL3962996

SCHEMBL3962996

CCOC(=O)c1ccc(N2CCC(NCc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
MAPT P10636 2/20 0.50
NAMPT P43490 1/20 0.50
ALOX15 P16050 1/20 0.49
DRD4 P21917 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ME3 Q16798 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL3959612 0.85 KMT2A (0.49) SMN1; SMN2ALDH1A1TSHRMAPTMEN1
SCHEMBL13906609 0.85 MEN1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPTMEN1
SCHEMBL3958384 0.84 DRD4 (0.56) DRD4MEN1KMT2AME3ACHE
SCHEMBL458122 0.84 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL377924 0.83 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TSHRMAPTMEN1
SCHEMBL2293847 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTNAMPTALOX15
SCHEMBL2293851 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTNAMPTALOX15
SCHEMBL3958170 0.81 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1TSHRMAPTMEN1
SCHEMBL7324645 0.81 BCHE (0.56) SMN1; SMN2ALDH1A1TSHRMAPTGAA
SCHEMBL3954451 0.80 BCL2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E

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
WO-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 WO disclosed
WO-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 WO disclosed