SCHEMBL19365836

SCHEMBL19365836

O=C(Nc1cccc(C(F)(F)F)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ TRPV1 Q8NER1 1/20 0.45
▸ KDM1A O60341 2/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAF1 P04049 2/20 0.42
▸ BRAF P15056 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PDGFRB P09619 1/20 0.41

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
SCHEMBL19365389 0.93 FYN (0.44) MAPTTRPV1KDM1ARAF1BRAF
SCHEMBL19670264 0.91 MAPT (0.45) MAPTTRPV1KDM1AMEN1KMT2A
SCHEMBL19365580 0.91 MAPT (0.43) MAPTTRPV1KDM1ARAF1BRAF
SCHEMBL19706075 0.89 KDM1A (0.43) MAPTKDM1AJAK2
SCHEMBL19365739 0.88 CA2 (0.51) MAPTKDM1AEPHX2
SCHEMBL19706288 0.87 POLB (0.48) TRPV1MEN1KMT2A
SCHEMBL19365711 0.87 KDM1A (0.42) MAPTTRPV1KDM1ABRAFJAK2
SCHEMBL19706080 0.86 CNR2 (0.51) —
SCHEMBL19365474 0.86 MAPT (0.42) MAPTTRPV1KDM1AEPHX2FYN
SCHEMBL19365690 0.85 FYN (0.38) MAPTTRPV1KDM1AMEN1KMT2A

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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