SCHEMBL8915138

SCHEMBL8915138

C#Cc1nccnc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
ERBB2 P04626 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
TDO2 P48775 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NOTUM Q6P988 1/20 0.34
ADORA2A P29274 1/20 0.34
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL10427642 0.79 ERBB2 (0.53) ERBB2MAPTKDM4ECYP3A4ADORA2A
SCHEMBL460510 0.77 ALOX15 (0.50) ALOX15SLC22A12HTR2BHTR5ATDO2
SCHEMBL27664892 0.77 ALOX15 (0.50) ALOX15SLC22A12HTR2BHTR5ATDO2
SCHEMBL30021764 0.74 ALOX15 (0.48) ALOX15SLC22A12HTR2BHTR5ATDO2
Hydrochloric Acid SCHEMBL4703144 0.74 ALOX15 (0.48) ALOX15SLC22A12HTR2BHTR5ATDO2
SCHEMBL3920052 0.73 CYP2A6 (0.40) PTGS1PTGS2CHEK1GSK3B
SCHEMBL8914679 0.73 PTGS1 (0.39) ALOX15HTR2BHTR5ATDO2MAPT
SCHEMBL14525863 0.72 ALDH1A1 (0.50) ALOX15SLC22A12HTR2BHTR5ATDO2
SCHEMBL14525924 0.72 ALDH1A1 (0.50) ALOX15SLC22A12HTR2BHTR5ATDO2
Pyridine SCHEMBL28393899 0.69 NOTUM (0.52) ALOX15SLC22A12HTR2BHTR5ATDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639753-A CONTROLLING INSECTS IN AGRICULTURE CROPS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5532367-A LARVICIDES FMC CORPORATION (US) 1996-07-02 US disclosed
US-5521190-A USEFUL AGAINST TOBACCO BUDWORM FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1994027439-A1 INSECTICIDAL PTERIDINES AND 8-DEAZAPTERIDINES FMC CORPORATION (US) 1994-12-08 WO disclosed