SCHEMBL20169652

SCHEMBL20169652

COc1cc2c(cc1OCc1ccccc1)NC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)CN1C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL31151941 1.00 PDE4B (0.39) PDE4BMEN1KMT2ACRBNIKZF3
SCHEMBL18063630 1.00 PDE4B (0.39) PDE4BMEN1KMT2ACRBNIKZF3
SCHEMBL17476437 1.00 PDE4B (0.39) PDE4BMEN1KMT2ACRBNIKZF3
SCHEMBL31145720 1.00 PDE4B (0.39) PDE4BMEN1KMT2ACRBNIKZF3
SCHEMBL14090164 0.89 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL31151945 0.88 MEN1 (0.43) PDE4BMEN1KMT2ACRBNIKZF3
SCHEMBL31151987 0.88 MEN1 (0.43) PDE4BMEN1KMT2ACRBNIKZF3
SCHEMBL17489316 0.86 POLB (0.36) PDE4BMEN1KMT2APDE4APDE4C
SCHEMBL31151953 0.85 PDE4B (0.42) PDE4BMEN1KMT2ATDP1CTSV
SCHEMBL31152007 0.85 PDE4B (0.42) PDE4BMEN1KMT2ATDP1CTSV

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-9974864-B2 Isoquinolidinobenzodiazepines CELLERANT THERAPEUTICS, INC. (US) 2018-05-22 US disclosed