SCHEMBL29617618

SCHEMBL29617618

COC(=O)CC1CC(c2cc(OC)cc(C(F)(F)F)c2)CN(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1G O43497 2/20 0.43
KCNH2 Q12809 2/20 0.43
PRKAA2 P54646 7/20 0.42
PRKAB2 O43741 6/20 0.42
PRKAG1 P54619 6/20 0.42
PRKAA1 Q13131 6/20 0.42
PRKAG3 Q9UGI9 6/20 0.42
PRKAG2 Q9UGJ0 6/20 0.42
PRKAB1 Q9Y478 6/20 0.42
GSK3B P49841 1/20 0.41
PIK3CA P42336 1/20 0.40
CCR2 P41597 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL29087797 1.00 MEN1 (0.43) MEN1KMT2ACACNA1GKCNH2PRKAA2
SCHEMBL29617605 0.91 CYP3A4 (0.41) MEN1KMT2ACACNA1GKCNH2PRKAA2
SCHEMBL29617624 0.91 PRKAA2 (0.48) MEN1KMT2ACACNA1GKCNH2PRKAA2
SCHEMBL29087709 0.91 PRKAA2 (0.48) MEN1KMT2ACACNA1GKCNH2PRKAA2
SCHEMBL29617620 0.90 KDM4E (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29087755 0.90 KDM4E (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29617601 0.90 CHRM4 (0.45) MEN1KMT2ACACNA1GKCNH2PRKAA2
SCHEMBL29087705 0.90 CHRM4 (0.45) MEN1KMT2ACACNA1GKCNH2PRKAA2
SCHEMBL29087798 0.86 CHRM2 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL29617612 0.86 GPBAR1 (0.41) CACNA1GKCNH2

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
EP-4247374-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS Telo Therapeutics, Inc. (US) 2023-09-27 EP disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed