SCHEMBL22010747

SCHEMBL22010747

CNCc1c(C)oc2c(N=C(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 2/20 0.38
GAA P10253 1/20 0.36
CA2 P00918 1/20 0.33
NR1I3 Q14994 1/20 0.31
MAPT P10636 1/20 0.30
MAPK10 P53779 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25707381 0.82 LMNA (0.39) ESR1ESR2GAAMAPTKMT2A
SCHEMBL21963701 0.81 TOP2A (0.36) ESR1ESR2GAAMAPTKMT2A
SCHEMBL29958536 0.80 GAA (0.34) GAA
SCHEMBL21963700 0.79 KMT2A (0.39) ESR1ESR2GAAKMT2A
SCHEMBL24923371 0.79 ESR1 (0.32) ESR1ESR2GAA
SCHEMBL28604517 0.78 ESR2 (0.39) ESR1ESR2GAA
SCHEMBL21963757 0.74 EGFR (0.33) GAAKMT2A
SCHEMBL22010749 0.74 CA2 (0.39) GAACA2NR1I3MAPTKMT2A
SCHEMBL22010512 0.73 GBA1 (0.34) GAAKMT2A
SCHEMBL21963733 0.73 KMT2A (0.46) KMT2A

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
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed