SCHEMBL9715375

SCHEMBL9715375

OCCCN(CCCO)C(=Cc1ccccc1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
PKM P14618 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
MEN1 O00255 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL9803850 0.81 NPC1 (0.49) NPC1RAB9APKMPOLBMAPT
SCHEMBL8519976 0.78 RAB9A (0.47) NPC1RAB9APKMPOLBMAPT
SCHEMBL4255052 0.75 NPC1 (0.53) NPC1RAB9APKMPOLBMAPT
SCHEMBL8219151 0.71 ACKR3 (0.41) RAB9ALMNAALDH1A1ACKR3
SCHEMBL9250759 0.69 RAB9A (0.61) NPC1RAB9APKMPOLBMAPT
SCHEMBL1245893 0.66 RAB9A (0.57) NPC1RAB9APKMPOLBMAPT
SCHEMBL4809812 0.66 RAB9A (0.57) NPC1RAB9APKMPOLBMAPT
SCHEMBL19359519 0.66 RAB9A (0.57) NPC1RAB9APKMPOLBMAPT
SCHEMBL19359518 0.66 RAB9A (0.57) NPC1RAB9APKMPOLBMAPT
SCHEMBL19380827 0.66 RAB9A (0.57) NPC1RAB9APKMPOLBMAPT

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
WO-1992017333-A1 SELF-ASSEMBLED SUPER LATTICES NORTHWESTERN UNIVERSITY (US) 1992-10-15 WO disclosed