SCHEMBL24470892

SCHEMBL24470892

Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1CN(C2COC2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
SLC26A4 O43511 6/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
LMNA P02545 3/20 0.50
BLM P54132 1/20 0.50
ATM Q13315 1/20 0.50
HTT P42858 1/20 0.50
ROCK1 Q13464 1/20 0.49
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR3A P46098 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL30569436 1.00 CASP3 (0.59) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL30569388 0.92 CASP3 (0.54) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29713009 0.92 CASP3 (0.54) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470640 0.92 CASP3 (0.54) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470645 0.92 CASP3 (0.54) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470658 0.91 CASP3 (0.57) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29713048 0.91 CASP3 (0.57) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470819 0.90 CASP3 (0.67) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470583 0.86 CASP3 (0.69) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29712979 0.86 CASP3 (0.55) 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