SCHEMBL24470575

SCHEMBL24470575

Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N[C@H]1CCNC1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
ROCK1 Q13464 1/20 0.54
SLC26A4 O43511 6/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 2/20 0.51
BLM P54132 1/20 0.51
ATM Q13315 1/20 0.51
HTT P42858 1/20 0.51
APOL1 O14791 1/20 0.49
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.45

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
SCHEMBL29713109 1.00 CASP3 (0.60) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470581 1.00 CASP3 (0.60) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29712964 1.00 CASP3 (0.60) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470772 1.00 CASP3 (0.60) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29713069 0.95 CASP3 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL30569438 0.95 CASP3 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470834 0.95 CASP3 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470770 0.95 CASP3 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470822 0.95 CASP3 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24485185 0.91 CASP3 (0.48) CASP3SENP8SENP7SENP6L3MBTL1

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-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed