SCHEMBL30708686

SCHEMBL30708686

CC(C)(C)C(O)c1ncc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.41
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL25742569 1.00 PLAU (0.41) PLAUS1PR1S1PR3KMT2AMEN1
SCHEMBL21598707 0.81 PLAU (0.43) PLAUS1PR1S1PR3KMT2AMEN1
SCHEMBL23608765 0.77 PLAU (0.40) PLAUS1PR1S1PR3KMT2AMEN1
SCHEMBL28634201 0.77 PLAU (0.33) PLAUS1PR1S1PR3KMT2AMEN1
SCHEMBL16139588 0.77 S1PR1 (0.42) PLAUS1PR1S1PR3KMT2AMEN1
SCHEMBL25742429 0.75 PLAU (0.41) PLAUS1PR1S1PR3KMT2AMEN1
SCHEMBL29818584 0.75 PLAU (0.41) PLAUS1PR1S1PR3KMT2AMEN1
SCHEMBL10179832 0.74 S1PR1 (0.34) PLAUS1PR1S1PR3MAPK1
SCHEMBL13119982 0.74 S1PR1 (0.47) PLAUS1PR1S1PR3KMT2AMEN1
SCHEMBL17979053 0.73 PLAU (0.42) PLAUS1PR1S1PR3KMT2AMAPK1

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
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN disclosed