SCHEMBL9077635

SCHEMBL9077635

CCCCC(=O)C(C#N)CCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TBXAS1 P24557 1/20 0.40
POLB P06746 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ASAH1 Q13510 1/20 0.37
HTR2A P28223 2/20 0.37
HRH1 P35367 2/20 0.37

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
SCHEMBL4893257 0.78 CES2 (0.47) CES2CES1MEN1KMT2A
SCHEMBL8433707 0.78 MMP8 (0.43) SIGMAR1TBXAS1POLBMEN1KMT2A
SCHEMBL11071027 0.76 FFAR4 (0.50) TSHRMEN1KMT2ATDP1
SCHEMBL8903883 0.74 MAPT (0.54) CES1SMN1; SMN2
SCHEMBL3124230 0.74 FFAR1 (0.42) CES2
SCHEMBL10627704 0.73 CA2 (0.36) CES2CES1TSHR
SCHEMBL31108377 0.73 ASAH1 (0.52) SIGMAR1TBXAS1CES2CES1KMT2A
SCHEMBL7011219 0.73 ASAH1 (0.52) SIGMAR1TBXAS1CES2CES1KMT2A
SCHEMBL81907 0.73 SIGMAR1 (0.64) SIGMAR1NPSR1MEN1KMT2AHTR2A
SCHEMBL28438991 0.72 MEN1 (0.54) NPSR1POLBCES2CES1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671881-A4 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES. FMC CORP (US) 1996-03-27 EP disclosed
EP-0671881-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1995-09-20 EP disclosed
WO-1994012032-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1994-06-09 WO disclosed