SCHEMBL19365389

SCHEMBL19365389

O=C(Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CCC21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ KDM1A O60341 10/20 0.42
▸ MAOB P27338 7/20 0.42
▸ MAOA P21397 5/20 0.42
▸ MCHR1 Q99705 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMO O15229 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL19365836 0.93 MAPT (0.49) FYNMAPTTRPV1KDM1ARAF1
SCHEMBL19670264 0.87 MAPT (0.45) FYNMAPTTRPV1KDM1ARAF1
SCHEMBL19365580 0.86 MAPT (0.43) FYNMAPTTRPV1KDM1AMAOB
SCHEMBL19365690 0.85 FYN (0.38) FYNMAPTTRPV1KDM1AMAOB
SCHEMBL19706075 0.84 KDM1A (0.43) MAPTKDM1AMAOBMAOAJAK2
SCHEMBL19706288 0.84 POLB (0.48) TRPV1
SCHEMBL19670436 0.84 RHOA (0.42) FYNMAPTTRPV1KDM1AMAOB
SCHEMBL19365474 0.83 MAPT (0.42) FYNMAPTTRPV1KDM1AMAOB
SCHEMBL19365739 0.83 CA2 (0.51) MAPTKDM1A
SCHEMBL19365711 0.82 KDM1A (0.42) MAPTTRPV1KDM1AMAOBMAOA

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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