SCHEMBL5775062

SCHEMBL5775062

COC(=O)Oc1cnn2c(Cl)c(C3CCCC3)c(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.35
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
PDE4A P27815 4/20 0.32
PDE4B Q07343 4/20 0.32
PDE4C Q08493 4/20 0.32
PDE4D Q08499 4/20 0.32
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 3/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL5776597 0.84 HTR2C (0.32) HTR2C
SCHEMBL4502692 0.81 HTR2C (0.54) HTR2CALDH1A1HPGDKDM4EPOLB
SCHEMBL5774361 0.81 CDK4 (0.32) HTR2CCDK4CCND1CCNE1CDK2
SCHEMBL5323120 0.76 TP53 (0.33) HTR2CALDH1A1HPGDKDM4EPOLB
SCHEMBL5771717 0.74 MEN1 (0.33) KMT2A
SCHEMBL3258832 0.70 CRHR1 (0.35) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL5291917 0.70 CNR1 (0.37)
SCHEMBL3257816 0.70 KDM4E (0.36) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL4490087 0.68 HTR2C (0.47) HTR2CALDH1A1HPGDKDM4EPOLB
SCHEMBL4506359 0.68 HTR2C (0.47) HTR2CALDH1A1HPGDKDM4EPOLB

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-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed