SCHEMBL3955002

SCHEMBL3955002

CCOC(=O)c1ccc(N2CCC(NC(=O)c3ccccc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCL2 P10415 2/20 0.45
BAK1 Q16611 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A4 P31645 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
SCHEMBL30857630 0.86 POLB (0.46) MAPTBCL2BAK1ALDH1A1KDM4E
SCHEMBL10175120 0.86 POLB (0.46) MAPTBCL2BAK1ALDH1A1KDM4E
SCHEMBL3956681 0.85 GAA (0.53) SMN1; SMN2LMNABCL2BAK1CNR1
SCHEMBL3954451 0.83 BCL2 (0.51) SMN1; SMN2BCL2BAK1ALDH1A1KDM4E
SCHEMBL3962306 0.82 POLB (0.48) SMN1; SMN2LMNAMAPTTDP1ALDH1A1
SCHEMBL13906605 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTTDP1ALDH1A1
SCHEMBL377924 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL10226374 0.80 BCL2 (0.49) MAPTBCL2BAK1ALDH1A1KDM4E
SCHEMBL10175099 0.79 POLB (0.45) MAPTBCL2BAK1ALDH1A1KDM4E
SCHEMBL31450904 0.79 POLB (0.45) MAPTBCL2BAK1ALDH1A1KDM4E

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