SCHEMBL29620716

SCHEMBL29620716

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)c2nnn[nH]2)C(F)(F)F)cc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NAMPT P43490 1/20 0.31
TMEM97 Q5BJF2 2/20 0.30
SIGMAR1 Q99720 2/20 0.30
DYRK1A Q13627 1/20 0.30
CFTR P13569 2/20 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
SCHEMBL24345316 1.00 POLB (0.35) POLBMEN1HPGDKMT2ANAMPT
SCHEMBL24345858 1.00 POLB (0.35) POLBMEN1HPGDKMT2ANAMPT
SCHEMBL24345698 0.92 POLB (0.35) POLBMEN1HPGDKMT2ANAMPT
SCHEMBL29620732 0.92 POLB (0.35) POLBMEN1HPGDKMT2ANAMPT
SCHEMBL24345288 0.92 POLB (0.35) POLBMEN1HPGDKMT2ANAMPT
SCHEMBL29620707 0.91 POLB (0.35) POLBMEN1HPGDKMT2ANAMPT
SCHEMBL24345472 0.91 POLB (0.35) POLBMEN1HPGDKMT2ANAMPT
SCHEMBL24346314 0.91 POLB (0.35) POLBMEN1HPGDKMT2ANAMPT
SCHEMBL24345459 0.90 POLB (0.39) POLBMEN1HPGDKMT2ADYRK1A
SCHEMBL24345870 0.90 POLB (0.36) POLBMEN1HPGDKMT2ANAMPT

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