SCHEMBL6789628

SCHEMBL6789628

CCCCCCCCCN(CF)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
KCNH2 Q12809 5/20 0.45
CNR2 P34972 2/20 0.43
ICMT O60725 2/20 0.42
ALB P02768 2/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
TACR1 P25103 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL5716084 1.00 NPC1 (0.47) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25227860 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25270420 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25224466 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25229294 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25278096 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25224593 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25276956 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25224460 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25227148 0.88 NPC1 (0.53) NPC1JAK2RAB9APAX8KCNH2

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-6822057-B2 OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG EXXON MOBIL CHEMICAL PATENTS INC. 2004-11-23 US disclosed
US-6489480-B2 COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2002-12-03 US disclosed
US-20020115806-A1 Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-22 US disclosed
US-20020111265-A1 GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-15 US disclosed