SCHEMBL22609140

SCHEMBL22609140

CCN(O)C(=O)Nc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.52
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 2/20 0.46
TYK2 P29597 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL27800045 0.82 NAMPT (0.55) MDM2RAB9AKDM4EL3MBTL1BCHE
SCHEMBL2640925 0.81 MEN1 (0.64) RAB9AKDM4EL3MBTL1SMN1; SMN2EPHX1
SCHEMBL19305856 0.80 LMNA (0.54) RAB9AKDM4ELMNASMN1; SMN2MEN1
SCHEMBL10666171 0.77 TSHR (0.60) MDM2KDM4EL3MBTL1BCHETAAR1
SCHEMBL334233 0.73 BCHE (0.61) MDM2RAB9AKDM4EL3MBTL1BCHE
SCHEMBL7606752 0.72 KDM4E (0.49) KDM4ECA9LMNAHTTMEN1
SCHEMBL15196112 0.70 MDM2 (0.67) MDM2RAB9ATAAR1SMN1; SMN2HTT
SCHEMBL8277405 0.70 BCHE (0.68) MDM2RAB9AKDM4EL3MBTL1BCHE
SCHEMBL48610 0.70 TSHR (0.69) MDM2RAB9AKDM4EL3MBTL1TYK2
SCHEMBL10020286 0.69 MDM2 (1.00) MDM2RAB9AKDM4EL3MBTL1TAAR1

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
EP-3731848-A1 TARGETING THE CBM SIGNALOSOME COMPLEX INDUCES REGULATORY T CELLS TO INFLAME THE TUMOR MICROENVIRONMENT The General Hospital Corporation (US) 2020-11-04 EP disclosed