SCHEMBL19670282

SCHEMBL19670282

O=C(Nc1cccc(-c2cnco2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCCC21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.40
▸ KDM1A O60341 7/20 0.36
▸ MAOB P27338 5/20 0.35
▸ MAOA P21397 4/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ TRPV1 Q8NER1 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
SCHEMBL19670632 0.96 RHOA (0.39) RHOAKDM1AMAOBMAOAPIM1
SCHEMBL19670658 0.87 KDM1A (0.38) RHOAKDM1AMAOBMAOAPIM1
SCHEMBL19670436 0.85 RHOA (0.42) RHOAKDM1AMAOBMAOAJAK2
SCHEMBL16249945 0.83 RHOA (0.37) RHOAKDM1AMAOBMAOAPIM1
SCHEMBL16249976 0.83 RHOA (0.39) RHOAKDM1AMAOBMAOAKMO
SCHEMBL19365318 0.83 ALOX15 (0.46) KDM1AMAOBMAOAPIM1JAK2
SCHEMBL19365576 0.82 KDM1A (0.41) KDM1AMAOBMAOAJAK2MAPT
SCHEMBL17618774 0.82 RHOA (0.42) RHOAMAPTUCHL1HTR1ATRPV1
SCHEMBL19365470 0.82 KDM1A (0.40) KDM1AMAOBMAOAPIM1JAK2
SCHEMBL19365474 0.81 MAPT (0.42) KDM1AMAOBMAOAJAK2MAPT

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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