SCHEMBL29953762

SCHEMBL29953762

OB(O)c1cc(CN2CCSCC2)cnc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 5/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL115750 1.00 MEN1 (0.49) MEN1KMT2AKDM4EPOLBL3MBTL1
SCHEMBL116160 0.83 MAPT (0.43) ALDH1A1SMN1; SMN2
SCHEMBL29955596 0.83 MAPT (0.43) ALDH1A1SMN1; SMN2
SCHEMBL115588 0.74 IDO1 (0.44)
SCHEMBL12311146 0.73 LPL (0.36) KDM4EL3MBTL1SMN1; SMN2
SCHEMBL114470 0.71 KDM4E (0.53) MEN1KMT2AKDM4EPOLBL3MBTL1
SCHEMBL115669 0.69 SIGMAR1 (0.43) POLB
SCHEMBL20037810 0.68 POLB (0.57) KDM4EPOLBL3MBTL1ALDH1A1TSHR
SCHEMBL28588829 0.68 MEN1 (0.69) MEN1KMT2AKDM4EPOLBL3MBTL1
SCHEMBL5784103 0.67 KDM4E (0.68) MEN1KMT2AKDM4EPOLBL3MBTL1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed