SCHEMBL4733552

SCHEMBL4733552

CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 19/20 0.88
BCL2 P10415 13/20 0.53
ALB P02768 1/20 0.53
BCL2L2 Q92843 1/20 0.53
DOT1L Q8TEK3 1/20 0.53

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
SCHEMBL29686481 0.93 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL554723 0.93 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL376632 0.93 BCL2L1 (1.00) BCL2L1BCL2ALBBCL2L2
SCHEMBL1542046 0.90 BCL2L1 (0.89) BCL2L1BCL2ALBBCL2L2DOT1L
SCHEMBL27671268 0.90 BCL2L1 (0.89) BCL2L1BCL2ALBBCL2L2DOT1L
SCHEMBL30404935 0.89 BCL2L1 (0.82) BCL2L1BCL2ALBBCL2L2DOT1L
SCHEMBL1541685 0.89 BCL2L1 (0.88) BCL2L1BCL2ALBBCL2L2DOT1L
SCHEMBL3958559 0.88 BCL2L1 (0.80) BCL2L1BCL2ALBBCL2L2
SCHEMBL3963890 0.88 BCL2L1 (0.80) BCL2L1BCL2ALBBCL2L2
SCHEMBL30405418 0.88 BCL2L1 (0.80) BCL2L1BCL2ALBBCL2L2DOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008064116-A2 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed