SCHEMBL19670555

SCHEMBL19670555

CC(/C=C/CNC(=O)OC(C)(C)C)c1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)cc(-c2cnco2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.32
▸ RORC P51449 2/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CCR3 P51677 1/20 0.30
▸ IRAK1 P51617 1/20 0.30
▸ TRPV1 Q8NER1 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
SCHEMBL19706298 0.90 RHOA (0.38) RHOACA2CA9CCR3TRPV1
SCHEMBL17624671 0.86 RHOA (0.38) RHOAGPR119RORCCA2CA9
SCHEMBL17624583 0.86 RHOA (0.37) RHOAGPR119RORCCCR3IRAK1
SCHEMBL19365867 0.86 RHOA (0.37) RHOAGPR119RORCCCR3IRAK1
SCHEMBL16785596 0.84 RHOA (0.37) RHOAGPR119RORCCA2CA9
SCHEMBL19365701 0.83 RHOA (0.35) RHOAGPR119RORCCCR3IRAK1
SCHEMBL17624672 0.82 RHOA (0.35) RHOAGPR119RORCCCR3
SCHEMBL17618871 0.82 RHOA (0.35) RHOARORCCCR3
SCHEMBL17618873 0.82 RHOA (0.36) RHOARORCIRAK1TRPV1
SCHEMBL19365585 0.81 RHOA (0.40) RHOACA2CA9CCR3TRPV1

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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