SCHEMBL29620711

SCHEMBL29620711

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)C(F)(F)F)cc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CFTR P13569 2/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
GABRA5 P31644 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL24345268 1.00 POLB (0.35) POLBMEN1HPGDKMT2ACFTR
SCHEMBL24345453 1.00 POLB (0.35) POLBMEN1HPGDKMT2ACFTR
SCHEMBL24345670 0.94 POLB (0.36) POLBMEN1HPGDKMT2ACFTR
SCHEMBL29620701 0.94 POLB (0.36) POLBMEN1HPGDKMT2ACFTR
SCHEMBL24345855 0.94 POLB (0.36) POLBMEN1HPGDKMT2ACFTR
SCHEMBL29620699 0.93 POLB (0.34) POLBMEN1HPGDKMT2AMAPK13
SCHEMBL24345439 0.93 POLB (0.34) POLBMEN1HPGDKMT2AMAPK13
SCHEMBL29620737 0.93 POLB (0.37) POLBMEN1HPGDKMT2ACFTR
SCHEMBL24345846 0.93 POLB (0.37) POLBMEN1HPGDKMT2ACFTR
SCHEMBL24345459 0.91 POLB (0.39) POLBMEN1HPGDKMT2ACFTR

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-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed