SCHEMBL25870713

SCHEMBL25870713

CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccc(C#N)c4ccccc34)[se]2)C(=O)N(C)C1=S

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
AR P10275 1/20 0.31
HTT P42858 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL25870681 0.87 MAPT (0.33) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25870724 0.86 MAPT (0.32) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25870702 0.86 MAPT (0.32) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL18863392 0.84 MAPT (0.33) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL18863393 0.83 MAPT (0.40) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25870715 0.83 MAPT (0.34) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25870729 0.82 LMNA (0.34) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25870683 0.82 MAPT (0.32) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25870706 0.81 MAPT (0.32) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL25870691 0.81 MAPT (0.35) MEN1KMT2AMAPTRAB9ASMN1; 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
US-11711930-B2 2023-07-25 US disclosed