SCHEMBL10338024

SCHEMBL10338024

Nc1c(Cl)ncnc1NCCCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
GALR3 O60755 1/20 0.54
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.47
KDM4C Q9H3R0 1/20 0.46
PDE5A O76074 1/20 0.44
STK3 Q13188 3/20 0.43
STK4 Q13043 1/20 0.43
LRRK2 Q5S007 1/20 0.43
NPC1 O15118 1/20 0.43
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
ROCK2 O75116 2/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42

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
Hydrochloric Acid SCHEMBL9765063 0.98 RAB9A (0.56) RAB9AGALR3MAPTKDM4ESMN1; SMN2
SCHEMBL11595017 0.95 RAB9A (0.58) RAB9AGALR3MAPTKDM4ESMN1; SMN2
SCHEMBL9690935 0.88 RAB9A (0.61) RAB9AGALR3MAPTKDM4ELMNA
SCHEMBL17815686 0.88 RAB9A (0.60) RAB9AGALR3MAPTKDM4ESMN1; SMN2
SCHEMBL17815674 0.84 RAB9A (0.64) RAB9AGALR3MAPTKDM4ESMN1; SMN2
SCHEMBL17815682 0.83 RAB9A (0.56) RAB9AGALR3MAPTKDM4ESMN1; SMN2
SCHEMBL14466445 0.82 GALR3 (0.58) RAB9AGALR3KDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL17802556 0.82 RAB9A (0.55) RAB9AGALR3MAPTKDM4ESMN1; SMN2
SCHEMBL21591450 0.79 RAB9A (0.52) RAB9AGALR3MAPTKDM4ESMN1; SMN2
SCHEMBL4057859 0.78 GALR3 (0.61) RAB9AGALR3MAPTKDM4ESMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355085-A1 A PROCESS FOR THE PREPARATION OF 9-(HYDROXYALKYL)-HYPOXANTHINES. CO PHARMA CORP SRL (IT) 1990-02-28 EP disclosed
WO-1988005437-A1 A PROCESS FOR THE PREPARATION OF 9-(HYDROXYALKYL)-HYPOXANTHINES CO PHARMA CORPORATION S.R.L. (IT) 1988-07-28 WO disclosed
US-4100286-A 2-(Substituted heterocyclic amine)benzoic acids SCIENCE UNION ET CIE (FR) 1978-07-11 US disclosed