SCHEMBL28453979

SCHEMBL28453979

CCOC(=O)NNCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC26A6 Q9BXS9 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
THRB P10828 1/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 4/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL8631712 0.90 GAA (0.50) LMNATHRBGAAKDM4ESMN1; SMN2
SCHEMBL7434290 0.82 KCNQ3 (0.53) LMNAGAAKDM4ESMN1; SMN2POLB
SCHEMBL10774088 0.82 CTSS (0.51) LMNAGAAKDM4ESTAT1RAB9A
SCHEMBL7434407 0.82 GAA (0.60) LMNAGLAGAAKDM4ERAB9A
SCHEMBL28799774 0.79 LMNA (0.46) LMNAGLAGAAKDM4ESTAT1
SCHEMBL22347298 0.79 MEN1 (0.51) LMNAGAARAB9APOLBMAOB
SCHEMBL27087783 0.77 HDAC3 (0.56) LMNAGLAMEN1KMT2A
SCHEMBL25780269 0.77 EPHX2 (0.49) SLC26A6GAAKDM4ERAB9ATDP1
SCHEMBL29176912 0.76 MAOB (0.55) SLC26A6LMNAGLAMAOBMEN1
SCHEMBL5939725 0.75 SCN8A (0.52) SLC26A6EPHX2MEN1KMT2A

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
CN-107531721-B Fused tricyclic pyrazole derivatives for modulating farnesoid X receptors 诺华股份有限公司 2020-07-17 CN disclosed