SCHEMBL29620701

SCHEMBL29620701

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cccc2)C(F)(F)F)cc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA5 P31644 2/20 0.31
CFTR P13569 3/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
NAMPT P43490 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BTK Q06187 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
SCHEMBL24345670 1.00 POLB (0.36) POLBMEN1HPGDKMT2AGABRA5
SCHEMBL24345855 1.00 POLB (0.36) POLBMEN1HPGDKMT2AGABRA5
SCHEMBL24345453 0.94 POLB (0.35) POLBMEN1HPGDKMT2AGABRA5
SCHEMBL29620711 0.94 POLB (0.35) POLBMEN1HPGDKMT2AGABRA5
SCHEMBL24345268 0.94 POLB (0.35) POLBMEN1HPGDKMT2AGABRA5
SCHEMBL29620699 0.94 POLB (0.34) POLBMEN1HPGDKMT2AMAPK13
SCHEMBL24345439 0.94 POLB (0.34) POLBMEN1HPGDKMT2AMAPK13
SCHEMBL24345459 0.92 POLB (0.39) POLBMEN1HPGDKMT2AGABRA5
SCHEMBL24345669 0.90 POLB (0.38) POLBMEN1HPGDKMT2AGABRA5
SCHEMBL24345270 0.90 POLB (0.38) POLBMEN1HPGDKMT2AGABRA5

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