SCHEMBL11674909

SCHEMBL11674909

O=C1NNC(=O)c2ccc(Sc3ccccc3)c3cccc1c23

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 13/20 0.59
▸ MCL1 Q07820 12/20 0.46
▸ BCL2L1 Q07817 8/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ BCL2L11 O43521 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ RGS12 O14924 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ BRCA1 P38398 1/20 0.41

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
SCHEMBL11346047 0.83 BCL2 (0.60) BCL2MCL1BCL2L1MAPTKDM4E
SCHEMBL11809624 0.82 BCL2 (0.50) BCL2MAPTKDM4ENSD2MAPK1
SCHEMBL11060440 0.82 BCL2 (0.50) BCL2MCL1BCL2L1MAPTKDM4E
SCHEMBL12604898 0.81 BCL2 (0.67) BCL2MCL1BCL2L1MAPTKDM4E
Trifluoromethanesulfonic Acid SCHEMBL17726790 0.79 BCL2 (0.51) BCL2MCL1BCL2L1MAPTKDM4E
SCHEMBL21501553 0.78 BCL2 (0.62) BCL2MCL1BCL2L1MAPTBCL2L11
SCHEMBL17726858 0.76 BCL2 (0.48) BCL2MCL1BCL2L1MAPTKDM4E
SCHEMBL11351614 0.74 MEN1 (0.56) BCL2MCL1MAPTKDM4EBCL2L11
SCHEMBL14159197 0.73 USP2 (0.55) BCL2MCL1MAPTKDM4EBCL2L11
SCHEMBL11348626 0.71 PLK1 (0.48) BCL2MCL1MAPTKDM4EBCL2L11

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
US-4007180-A POLYESTERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-02-08 — — US disclosed
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