SCHEMBL19670497

SCHEMBL19670497

O=C(Nc1cccc(C(F)(F)F)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ IDH2 P48735 2/20 0.41
▸ GOT1 P17174 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ FYN P06241 1/20 0.41
▸ GRIN2B Q13224 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL19670299 0.93 FYN (0.43) MAPTMEN1KMT2AALDH1A1TRPV1
SCHEMBL19670466 0.88 CA2 (0.41) MAPTMEN1KMT2AALDH1A1TRPV1
SCHEMBL19365574 0.88 CA2 (0.41) MAPTMEN1KMT2AALDH1A1TRPV1
SCHEMBL19365834 0.88 CNR2 (0.51) LMNA
SCHEMBL19670537 0.88 CNR2 (0.51) LMNA
SCHEMBL19670552 0.86 FYN (0.38) MAPTMEN1KMT2AALDH1A1TRPV1
SCHEMBL17624594 0.84 TRPV1 (0.39) MAPTMEN1KMT2ATRPV1LMNA
SCHEMBL19670476 0.84 TRPV1 (0.46) MAPTTRPV1KDR
SCHEMBL19365413 0.84 ADCY1 (0.50) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL19365865 0.84 TSHR (0.36) MAPTKMT2ATRPV1KDRTSHR

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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