SCHEMBL31151987

SCHEMBL31151987

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRBN Q96SW2 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL31151945 1.00 MEN1 (0.43) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL31151952 0.89 CRBN (0.42) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL31151966 0.89 CRBN (0.42) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL18074190 0.89 CRBN (0.42) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL17476465 0.89 CRBN (0.42) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL18088304 0.89 CRBN (0.42) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL31151997 0.89 CRBN (0.42) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL31151973 0.89 CRBN (0.42) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL20169652 0.88 PDE4B (0.39) MEN1KMT2ACRBNIKZF3TDP1
SCHEMBL31145720 0.88 PDE4B (0.39) MEN1KMT2ACRBNIKZF3TDP1

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
WO-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed