SCHEMBL24470565

SCHEMBL24470565

Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1CCCNC1

nearest known ligand 0.59

Predicted protein targets (top 19)

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
ROCK1 Q13464 1/20 0.51
MAOB P27338 2/20 0.51
SLC26A4 O43511 6/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
LMNA P02545 2/20 0.50
BLM P54132 1/20 0.50
ATM Q13315 1/20 0.50
HTT P42858 1/20 0.50
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
MAOA P21397 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
SCHEMBL24470643 0.95 CASP3 (0.61) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL30569371 0.95 CASP3 (0.61) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL25296777 0.95 CASP3 (0.61) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470577 0.95 CASP3 (0.61) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29712995 0.93 CASP3 (0.59) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470829 0.93 CASP3 (0.59) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29713037 0.91 CASP3 (0.66) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470852 0.91 CASP3 (0.66) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470572 0.90 CASP3 (0.67) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470558 0.89 CASP3 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116761796-A Aryl derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-15 CN disclosed
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed