SCHEMBL4060701

SCHEMBL4060701

[O][CH]c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
RAB9A P51151 9/20 0.57
LMNA P02545 6/20 0.57
KDM4E B2RXH2 6/20 0.57
PKM P14618 2/20 0.57
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HTT P42858 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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
SCHEMBL230838 0.82 NPC1 (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL28443608 0.81 RAB9A (0.80) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL524926 0.81 RAB9A (0.61) NPC1RAB9ALMNAKDM4EPKM
Lithium SCHEMBL30618810 0.80 NPC1 (0.55) NPC1RAB9ALMNAKDM4EPKM
Ammonia Solution, Strong SCHEMBL29096034 0.80 NPC1 (0.55) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL31364411 0.80 NPC1 (0.55) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL30128765 0.78 RAB9A (0.53) NPC1RAB9ALMNAKDM4EPKM
Formaldehyde SCHEMBL2137330 0.78 NPC1 (0.53) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL1163115 0.77 RAB9A (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL108424 0.77 RAB9A (0.57) NPC1RAB9ALMNAKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547751-B2 Process for the preparation of a polyolefin DSM IP ASSETS B.V. (NL) 2009-06-16 US disclosed
US-20080153999-A1 Polymerization of at least one aliphatic or aromatic hydrocarbyl C2-20 mono- or multiolefin in the presence of a catalyst and a boron comprising co-catalyst, wherein the catalyst comprises of a metal-organic reagent, a spectator ligand and optionally at least one equivalent of a hydrocarbylting agent ARLANXEO NETHERLANDS B.V. (NL) 2008-06-26 US disclosed
EP-1651690-A2 PROCESS FOR THE PREPARATION OF A POLYOLEFIN DSM IP Assets B.V. (NL) 2006-05-03 EP disclosed
WO-2005014674-A2 PROCESS FOR THE PREPARATION OF A POLYOLEFIN DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed