SCHEMBL19365833

SCHEMBL19365833

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cccc(-c2cnco2)c1)C1CC[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.43
▸ BRAF P15056 1/20 0.41
▸ FYN P06241 1/20 0.37
▸ CREBBP Q92793 3/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CASR P41180 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SLC9A1 P19634 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ NCF1 P14598 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ UBE2M P61081 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ LMNA P02545 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
SCHEMBL19365786 0.90 RHOA (0.37) RHOABRAFSLC9A1PIK3CDPIK3CA
SCHEMBL19365541 0.89 RHOA (0.35) RHOABRAFFYNSLC9A1PIK3CD
SCHEMBL19365668 0.89 BRAF (0.43) RHOABRAFFYNCREBBPBRD4
SCHEMBL19706136 0.88 RHOA (0.43) RHOABRAFFYNCREBBPBRD4
SCHEMBL19365806 0.86 RHOA (0.42) RHOABRAFFYNCASRPOLB
SCHEMBL19365506 0.86 UBE2M (0.41) BRAFFYNPOLBRAB9AUBE2M
SCHEMBL19365841 0.84 PIK3CD (0.36) FYNPOLBRAB9ALCKPIK3CD
SCHEMBL19365509 0.83 PHGDH (0.38) FYNPOLBRAB9ALCKTP53
SCHEMBL19365712 0.83 RHOA (0.44) RHOABRAFFYNCREBBPBRD4
SCHEMBL19670289 0.82 BRAF (0.42) RHOABRAFFYNCREBBPBRD4

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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