SCHEMBL19365576

SCHEMBL19365576

O=C(Nc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCCC21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.41
▸ KMO O15229 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ MAOB P27338 4/20 0.38
▸ MAOA P21397 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CETP P11597 1/20 0.37

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
SCHEMBL19365318 0.90 ALOX15 (0.46) KDM1AKMOTRPV1MAOBMAOA
SCHEMBL19365324 0.90 MPL (0.44) KDM1AKMOTRPV1MAOBMAOA
SCHEMBL19365470 0.89 KDM1A (0.40) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365345 0.88 KDM1A (0.39) KDM1AKMOTRPV1MAOBMAOA
SCHEMBL19365711 0.86 KDM1A (0.42) KDM1AKMOTRPM8TRPV1PHGDH
SCHEMBL19365326 0.86 KDM1A (0.41) KDM1AKMOTRPV1MAOBMAOA
SCHEMBL19365260 0.85 KMO (0.39) KDM1AKMOMAOBMAOAJAK2
SCHEMBL19365715 0.85 KDM1A (0.42) KDM1AMAOBMAOAJAK2MAPT
SCHEMBL19365257 0.85 PHGDH (0.46) KDM1APHGDHMAOBMAOAJAK2
SCHEMBL19365332 0.84 KDR (0.40) KDM1AMAOBMAOAMAPT

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