SCHEMBL19365667

SCHEMBL19365667

CCN1CC[C@@H](O)[C@@H](C)N(C(=O)Nc2cccc(-c3cnco3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.43
▸ BRAF P15056 5/20 0.40
▸ CREBBP Q92793 3/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ FYN P06241 1/20 0.37
▸ RAF1 P04049 5/20 0.37
▸ CCR3 P51677 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ UBE2M P61081 2/20 0.35
▸ DCUN1D1 Q96GG9 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL19670212 0.93 RHOA (0.45) RHOABRAFCREBBPBRD4FYN
SCHEMBL21841333 0.91 RHOA (0.45) RHOABRAFCREBBPBRD4FYN
SCHEMBL19670323 0.88 RHOA (0.44) RHOABRAFCREBBPBRD4FYN
SCHEMBL16249975 0.82 RHOA (0.48) RHOABRAFCREBBPBRD4FYN
SCHEMBL16250011 0.81 RHOA (0.48) RHOABRAFCREBBPBRD4FYN
SCHEMBL16238774 0.81 RHOA (0.45) RHOABRAFCREBBPBRD4FYN
SCHEMBL16249983 0.81 RHOA (0.48) RHOABRAFCREBBPBRD4FYN
SCHEMBL19865069 0.81 RHOA (0.48) RHOABRAFCREBBPBRD4FYN
SCHEMBL19670170 0.80 BRAF (0.40) RHOABRAFCREBBPBRD4CCR3
SCHEMBL19670429 0.80 BRAF (0.40) RHOABRAFCREBBPBRD4CCR3

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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