SCHEMBL25870837

SCHEMBL25870837

COc1ccc(N2C(=O)C(C#N)=C(C)/C(=C\c3ccc(N(c4ccccc4)c4cccc5ccccc45)[se]3)C2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
USP2 O75604 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
STAT3 P40763 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL25870834 0.93 KDM4E (0.31) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL17765782 0.84 KDM4E (0.34) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL17765779 0.84 KDM4E (0.34) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL17790367 0.84 MAPT (0.34) ALDH1A1KDM4ECASP3SENP8SENP7
SCHEMBL25870838 0.79 KDM4E (0.34) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL17790366 0.76 MAPT (0.31) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL25870674 0.74 KMT2A (0.38) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL25870839 0.73 KDM4E (0.33) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL28705799 0.72 KDM4E (0.31) ALDH1A1KDM4ETSHR
SCHEMBL28932832 0.72 ALDH1A1 (0.31) ALDH1A1KDM4EMAPTTSHR

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-11711930-B2 2023-07-25 US disclosed