SCHEMBL9753452

SCHEMBL9753452

CCc1ccc(C)c(NC(C)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
PABPC1 P11940 1/20 0.39
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
ADCY8 P40145 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAPK8 P45983 1/20 0.36
PARP1 P09874 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4170301 0.82 ATM (0.42) KDM4ENPSR1POLBALDH1A1LMNA
SCHEMBL14525220 0.76 HTR1A (0.32) NPSR1ALDH1A1HPGDPDE10APARP1
SCHEMBL13741144 0.76 ADORA2A (0.43) KDM4ENPSR1POLBPABPC1ALDH1A1
SCHEMBL23213942 0.75 ALDH1A1 (0.40) KDM4ENPSR1ALDH1A1LMNAHPGD
SCHEMBL29844628 0.75 ALDH1A1 (0.40) KDM4ENPSR1ALDH1A1LMNAHPGD
SCHEMBL26937832 0.75 ALDH1A1 (0.40) KDM4ENPSR1ALDH1A1LMNATSHR
SCHEMBL9651921 0.72 PGK1 (0.43) KDM4EPOLBALDH1A1TSHRHPGD
SCHEMBL10565518 0.72 CYP1A2 (0.50) POLBALDH1A1TSHRPDE10ATDP1
SCHEMBL10129558 0.71 MAPK8 (0.45) KDM4ELMNAMEN1KMT2AMAPK8
SCHEMBL7895323 0.70 MAPK8 (0.59) KDM4ENPSR1POLBLMNAMAPK8

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
WO-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 WO disclosed