SCHEMBL3954451

SCHEMBL3954451

CCOC(=O)c1ccc(N2CCC(NCc3ccccc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 15/20 0.51
BAK1 Q16611 7/20 0.51
BCL2L1 Q07817 10/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
ABL1 P00519 1/20 0.45
KMT2A Q03164 1/20 0.45
RIN1 Q13671 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3958390 0.86 BCL2 (0.52) BCL2BAK1BCL2L1
SCHEMBL10226374 0.86 BCL2 (0.49) BCL2BAK1BCL2L1POLBMEN1
SCHEMBL1743631 0.84 BCL2 (0.68) BCL2BAK1BCL2L1KDM4E
SCHEMBL3955002 0.83 SMN1; SMN2 (0.46) BCL2BAK1POLBMEN1KMT2A
SCHEMBL13906602 0.83 BCL2 (0.47) BCL2BAK1BCL2L1POLBMEN1
SCHEMBL13906609 0.82 MEN1 (0.49) POLBMEN1ABL1KMT2ARIN1
SCHEMBL3959612 0.82 KMT2A (0.49) POLBMEN1ABL1KMT2ARIN1
SCHEMBL30857630 0.80 POLB (0.46) BCL2BAK1POLBMEN1KMT2A
SCHEMBL10175120 0.80 POLB (0.46) BCL2BAK1POLBMEN1KMT2A
SCHEMBL3962996 0.80 SMN1; SMN2 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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