SCHEMBL24070313

SCHEMBL24070313

CC(C)(C)OC(=O)Oc1cccc(F)c1C=N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
SCN9A Q15858 1/20 0.36
KMT2A Q03164 2/20 0.35
KRAS P01116 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
BRD4 O60885 2/20 0.32
EPHX2 P34913 1/20 0.32
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
ATM Q13315 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
PARP10 Q53GL7 1/20 0.31
CA2 P00918 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
SCHEMBL1792293 0.80 ELANE (0.46) ELANESCN9AKMT2ASMN1; SMN2LMNA
SCHEMBL2221010 0.73 ELANE (0.49) ELANEKMT2ABRD4EPHX2HPGD
SCHEMBL4059205 0.73 ELANE (0.49) ELANEKMT2ASMN1; SMN2BRD4HPGD
SCHEMBL7913179 0.72 ELANE (0.40) ELANEKMT2ASMN1; SMN2BRD4EPHX2
SCHEMBL411674 0.72 ELANE (0.40) ELANEMTNR1AMTNR1BBRD4CA2
SCHEMBL7714404 0.72 ELANE (0.41) ELANESCN9AKMT2AMTNR1AMTNR1B
SCHEMBL7711834 0.71 ELANE (0.39) ELANEKMT2ABRD4ATMCA2
SCHEMBL14839466 0.71 ELANE (0.44) ELANEKMT2AMTNR1AMTNR1BBRD4
SCHEMBL7882101 0.70 ELANE (0.38) ELANEKMT2ABRD4ATMCA2
SCHEMBL16958507 0.69 ELANE (0.37) ELANEBRD4EPHX2ATM

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-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO disclosed