SCHEMBL23036742

SCHEMBL23036742

Cc1cc(N2CCCCC[C@H]2c2ccc(S(C)(=O)=O)cc2C)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
ROCK1 Q13464 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GFER P55789 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CFB P00751 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL21516196 1.00 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL29456476 1.00 CRHBP (0.43) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL21491283 0.88 CRHBP (0.40) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL21516633 0.88 CRHBP (0.40) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL29456485 0.88 CRHBP (0.40) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL21516203 0.88 CRHBP (0.40) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL25491575 0.85 SMN1; SMN2 (0.49) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL21516847 0.82 CRHBP (0.44) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL23036719 0.82 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL21516967 0.82 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2HSP90AA1L3MBTL1

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
EP-3784666-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2021-03-03 EP disclosed