SCHEMBL3359043

SCHEMBL3359043

COc1ccc(CN(C(=O)c2cnc(NC3CCN(C(=O)O)CC3)s2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
BCL2A1 Q16548 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
TP53 P04637 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
GLS O94925 2/20 0.37
CCR1 P32246 1/20 0.37
LMNA P02545 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL508263 0.90 ALDH1A1 (0.49) ACHEBCL2A1MEN1KMT2ATP53
SCHEMBL508477 0.88 BCL2A1 (0.45) ACHEBCL2A1MEN1KMT2ASMN1; SMN2
SCHEMBL508541 0.86 ACHE (0.41) ACHEBCL2A1MEN1KMT2ASMN1; SMN2
SCHEMBL508540 0.86 ACHE (0.41) ACHEBCL2A1MEN1KMT2ASMN1; SMN2
SCHEMBL509223 0.77 BCL2A1 (0.56) BCL2A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL508789 0.75 MAPK13 (0.49) BCL2A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL13363657 0.75 MAPK13 (0.49) BCL2A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL509598 0.75 MAPK13 (0.48) BCL2A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL508769 0.75 MAPK13 (0.50) ACHEBCL2A1MEN1KMT2ASMN1; SMN2
SCHEMBL508768 0.75 MAPK13 (0.50) ACHEBCL2A1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054107-A2 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-05-14 WO disclosed