SCHEMBL8904307

SCHEMBL8904307

N#CC=Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.54
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
MAOA P21397 2/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAOB P27338 1/20 0.38
FDPS P14324 1/20 0.38
CHEK1 O14757 1/20 0.38
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
BACE1 P56817 1/20 0.37
AKR1C3 P42330 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
SCHEMBL8904305 1.00 ENPP2 (0.54) ENPP2BCL2L1BADKDM4ETRIM24
Cinnamonitrile SCHEMBL28165460 0.90 ENPP2 (0.50) ENPP2KDM4EMAOANFE2L2CYP19A1
SCHEMBL694394 0.87 ENPP2 (0.50) ENPP2BCL2L1BADKDM4ETRIM24
SCHEMBL694393 0.87 ENPP2 (0.50) ENPP2BCL2L1BADKDM4ETRIM24
SCHEMBL27698353 0.86 ENPP2 (0.49) ENPP2BCL2L1BADKDM4ETRIM24
SCHEMBL27684142 0.82 ABL1 (0.50) ENPP2NFE2L2MAOBFDPSHDAC2
SCHEMBL1287794 0.82 KDM4E (0.52) ENPP2KDM4EMAOANFE2L2CYP19A1
SCHEMBL11265587 0.82 KDM4E (0.52) ENPP2KDM4EMAOANFE2L2CYP19A1
Cinnamonitrile SCHEMBL996307 0.81 KDM4E (0.54) ENPP2KDM4EMAOANFE2L2CYP19A1
Cinnamonitrile SCHEMBL23599 0.81 KDM4E (0.54) ENPP2KDM4EMAOANFE2L2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627189-A Insecticidal 5-substituted-2,4-diaminopyrimidine derivatives FMC CORPORATION (US) 1997-05-06 US disclosed
US-5587379-A CONTROLLING INSECTS IN AGRICULTURAL CROPS FMC CORPORATION (US) 1996-12-24 US disclosed
US-5521192-A TOBACCO BUDWORM, CABBAGE LOOPER, BEET ARMYWORM FMC CORPORATION (US) 1996-05-28 US disclosed
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