SCHEMBL9850906

SCHEMBL9850906

CC(C)c1ccc(C(C)(C)N[C]=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
PTPN5 P54829 1/20 0.38
TYR P14679 2/20 0.36
GRIA4 P48058 4/20 0.36
ACE P12821 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
KIF11 P52732 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MGLL Q99685 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16984371 0.75 CYP2C9 (0.44) CYP2D6CYP2C9HIF1APTPN5TYR
SCHEMBL3114470 0.75 HDAC3 (0.45) HIF1AALDH1A1MAPTKDM4EKMT2A
SCHEMBL16984373 0.74 CYP2C9 (0.42) CYP2D6CYP2C9HIF1APTPN5TYR
SCHEMBL8916291 0.73 KIF11 (0.42) CYP2C9PTPN5ACEMAPTSMN1; SMN2
SCHEMBL9850911 0.73 TYR (0.45) CYP2D6CYP2C9HIF1APTPN5TYR
SCHEMBL12205460 0.72 CYP2C9 (0.50) CYP2D6CYP2C9HIF1APTPN5TYR
SCHEMBL16984370 0.71 CYP2D6 (0.40) CYP2D6CYP2C9HIF1APTPN5TYR
SCHEMBL548066 0.69 TSHR (0.50) CYP2D6CYP2C9HIF1APTPN5TYR
SCHEMBL6281512 0.69 CYP2C9 (0.50) CYP2D6CYP2C9HIF1APTPN5TYR
SCHEMBL16191360 0.69 CYP2C9 (0.50) CYP2D6CYP2C9HIF1APTPN5TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043372-A Light stabilizers for polyolefins; reacting hydrazine with bis(half ester-half amide) ATOCHEM NORTH AMERICA, INC. (US) 1991-08-27 US disclosed
EP-0434079-A1 N,N'-hydrocarbylenebis(N-hals-substituted amic acid hydrazides) and their derivatives ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-06-26 EP disclosed