SCHEMBL9848988

SCHEMBL9848988

CCCCCC1(C(N)=O)CC=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.33
KIF11 P52732 3/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL7064342 0.76 KDM4E (0.36) KDM4EPKMUSP2MEN1OPRK1
SCHEMBL29042467 0.72 KDM4E (0.33) KDM4EPKMMEN1OPRK1KMT2A
SCHEMBL2161308 0.72 KDM4E (0.35) KDM4EPKM
SCHEMBL11456794 0.70 BID (0.43) KDM4EMAPT
SCHEMBL9518749 0.70 KIF11 (0.35) KIF11LMNA
SCHEMBL21385037 0.69 KDM4E (0.31) KDM4EPKMOPRK1
SCHEMBL5857537 0.69 LMNA (0.33) KDM4EPKMKIF11LMNAKMT2A
SCHEMBL9440141 0.69 LMNA (0.34) KIF11LMNAMAPTKMT2ATSHR
SCHEMBL28431200 0.69 KIF11 (0.37) KDM4EPKMKIF11CYP3A4MEN1
SCHEMBL8611475 0.68 KIF11 (0.33) KDM4EKIF11LMNAMAPTKMT2A

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
EP-0407032-A2 Aromatic and heteroaromatic amines for treating depressions, cerebral insufficiency disorders or dementia JOHN WYETH & BROTHER LIMITED (GB) 1991-01-09 EP disclosed
EP-0346841-A2 1-Aryl-naphthoic acid amide and microbicides containing these CIBA-GEIGY AG (CH) 1989-12-20 EP disclosed