SCHEMBL20344607

SCHEMBL20344607

C[C@H](CCc1ccc(F)cc1NC=O)NC(=O)c1nnc(Cc2cccc(F)c2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 3/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL22048482 0.84 THRB (0.35) POLBTHRBMAPTTP53
SCHEMBL22048479 0.79 POLB (0.41) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL22710309 0.77 POLB (0.33) ALDH1A1SMN1; SMN2POLBTHRBMEN1
SCHEMBL19980277 0.74 POLB (0.46) POLBTHRBMAPTTP53
SCHEMBL19980451 0.69 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL15964735 0.68 HCAR2 (0.53) POLBTHRBMAPTTP53
SCHEMBL15964837 0.67 HCAR2 (0.46) POLBTP53
SCHEMBL22888233 0.67 HDAC6 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL20344523 0.67 HPGD (0.36) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL19980218 0.67 CAPN1 (0.37) ALDH1A1SMN1; SMN2POLB

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
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed