SCHEMBL19365409

SCHEMBL19365409

O=C(Nc1ccccn1)N1c2nc(-c3ccc(Cl)c(Cl)c3)ccc2N2CC[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ BTK Q06187 1/20 0.37
▸ ABL1 P00519 3/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TACR3 P29371 1/20 0.35

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
SCHEMBL19365410 1.00 RAB9A (0.41) RAB9AMEN1KMT2ANPC1CNR2
SCHEMBL19365401 0.93 MALT1 (0.40) RAB9ACNR2GSK3BDYRK1ABTK
SCHEMBL19365400 0.93 MALT1 (0.40) RAB9ACNR2GSK3BDYRK1ABTK
SCHEMBL19365560 0.90 CNR2 (0.42) RAB9AMEN1KMT2ANPC1CNR2
SCHEMBL19365553 0.90 CNR2 (0.42) RAB9AMEN1KMT2ANPC1CNR2
SCHEMBL19670235 0.88 GSK3B (0.36) RAB9AMEN1KMT2AGSK3BDYRK1A
SCHEMBL19364826 0.86 FAAH (0.42) RAB9AMEN1KMT2ANPC1GSK3B
SCHEMBL19670319 0.86 FAAH (0.42) RAB9AMEN1KMT2ANPC1GSK3B
SCHEMBL19365770 0.86 ALDH1A1 (0.38) RAB9AMEN1KMT2ANPC1CNR2
SCHEMBL19670222 0.86 ALDH1A1 (0.38) RAB9AMEN1KMT2ANPC1CNR2

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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