SCHEMBL6792994

SCHEMBL6792994

O=C1c2ccccc2CN1c1cc(F)c(F)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
PKM P14618 3/20 0.48
KMT2A Q03164 5/20 0.46
CYP11B2 P19099 1/20 0.44
MAPT P10636 1/20 0.40
MEN1 O00255 4/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD1 P21728 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL28360818 0.81 KMT2A (0.59) NPC1RAB9APKMKMT2ACYP11B2
SCHEMBL31632647 0.79 NPC1 (0.53) NPC1RAB9APKMKMT2ACYP11B2
SCHEMBL31549996 0.74 NPC1 (0.50) NPC1RAB9APKMKMT2ACYP11B2
SCHEMBL27326922 0.74 GRM1 (0.48) KMT2AMEN1PGRCYP3A4NFKB1
SCHEMBL28957758 0.73 NPC1 (0.47) NPC1RAB9APKMKMT2ACYP11B2
SCHEMBL28957694 0.73 NPC1 (0.49) NPC1RAB9APKMKMT2ACYP11B2
SCHEMBL30273428 0.72 NPC1 (0.46) NPC1RAB9APKMKMT2ACYP11B2
SCHEMBL28957738 0.72 NPC1 (0.48) NPC1RAB9APKMKMT2ACYP11B2
SCHEMBL30273459 0.72 NPC1 (0.48) NPC1RAB9APKMKMT2ACYP11B2
SCHEMBL16865781 0.72 NPC1 (0.61) NPC1RAB9APKMKMT2ACYP11B2

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-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