SCHEMBL19365712

SCHEMBL19365712

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=S)Nc1cccc(-c2cnco2)c1)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.44
▸ BRAF P15056 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ KDM1A O60341 3/20 0.34
▸ FYN P06241 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL19365806 0.86 RHOA (0.42) RHOABRAFKDM1AFYNPOLB
SCHEMBL19670403 0.86 BRAF (0.39) RHOABRAFMEN1KMT2AFYN
SCHEMBL19365833 0.83 RHOA (0.43) RHOABRAFLMNABRD4CREBBP
SCHEMBL19706136 0.83 RHOA (0.43) RHOABRAFBRD4CREBBPFYN
SCHEMBL19670289 0.79 BRAF (0.42) RHOABRAFBRD4CREBBPFYN
SCHEMBL19706060 0.79 BRAF (0.42) RHOABRAFKMT2ABRD4CREBBP
SCHEMBL19365843 0.78 RHOA (0.39) RHOABRAFMEN1KMT2AHDAC1
SCHEMBL19365586 0.78 RHOA (0.38) RHOABRAFMEN1KMT2APOLB
SCHEMBL19670285 0.77 BRAF (0.42) RHOABRAFBRD4CREBBPPOLB
SCHEMBL19365264 0.76 RHOA (0.38) RHOAFYNMAP4K4POLBRAB9A

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
Send feedback