SCHEMBL19670369

SCHEMBL19670369

CC(C)(C)OC(=O)NCc1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@@H]2C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ RORC P51449 4/20 0.40
▸ PTPRB P23467 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ IRAK1 P51617 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL19669054 1.00 NAMPT (0.41) NAMPTROCK2RORCPTPRBKDM4E
SCHEMBL16250024 1.00 NAMPT (0.41) NAMPTROCK2RORCPTPRBKDM4E
Hydrochloric Acid SCHEMBL17770586 0.97 NAMPT (0.39) NAMPTROCK2RORCPTPRBKDM4E
SCHEMBL17618888 0.96 NAMPT (0.42) NAMPTROCK2RORCPTPRBCA2
SCHEMBL16249987 0.92 KDM4E (0.41) KDM4ECA2CA9GAAMAPT
SCHEMBL16754369 0.91 IDH2 (0.41) KDM4ECA2CA9GAAMAPT
SCHEMBL17618886 0.90 CA2 (0.37) RORCPTPRBKDM4ECA2CA9
SCHEMBL19365570 0.90 CA2 (0.37) RORCPTPRBKDM4ECA2CA9
Trifluoroacetic Acid SCHEMBL16238731 0.89 KDM4E (0.40) KDM4ECA2CA9GAAMAPT
SCHEMBL17618885 0.89 KDM4E (0.39) KDM4ECA2CA9GAAMAPT

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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