SCHEMBL19365690

SCHEMBL19365690

NCc1ncc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4C4CCC43)c2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ KDM1A O60341 8/20 0.37
▸ MAOB P27338 6/20 0.37
▸ MAOA P21397 4/20 0.37
▸ EPHB4 P54760 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ IDH2 P48735 1/20 0.34

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 0.85 FYN (0.44) FYNMAPTTRPV1KDM1AMAOB
SCHEMBL19365836 0.85 MAPT (0.49) FYNMAPTTRPV1KDM1AMEN1
SCHEMBL17618335 0.84 TRPV1 (0.39) FYNMAPTTRPV1EPHB4CA2
SCHEMBL19670552 0.84 FYN (0.38) FYNMAPTTRPV1KDM1AMAOB
SCHEMBL19706075 0.84 KDM1A (0.43) MAPTKDM1AMAOBMAOACA2
SCHEMBL16237553 0.83 FYN (0.37) FYNMAPTTRPV1EPHB4CA2
SCHEMBL19706043 0.83 FYN (0.38) FYNMAPTTRPV1EPHB4CA2
SCHEMBL19670264 0.80 MAPT (0.45) FYNMAPTTRPV1KDM1AMEN1
SCHEMBL19670436 0.80 RHOA (0.42) FYNMAPTTRPV1KDM1AMAOB
SCHEMBL19365580 0.79 MAPT (0.43) FYNMAPTTRPV1KDM1AMAOB

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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