SCHEMBL5712366

SCHEMBL5712366

CCn1c(Cl)nc2ccc(I)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 3/20 0.39
TNF P01375 1/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TYMS P04818 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL7101435 0.89 ADORA2B (0.41) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL8405843 0.80 TNF (0.43) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5712376 0.80 SMN1; SMN2 (0.40) KDM4EALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5712367 0.80 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5712356 0.77 MAPK1 (0.45) KDM4EALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL8424278 0.75 LMNA (0.43) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9954457 0.73 HCAR1 (0.50) SMN1; SMN2MAPK1NPC1
SCHEMBL9953965 0.73 POLB (0.41) MEN1KMT2ATYMSNPC1
SCHEMBL10517573 0.72 NPC1 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9954005 0.72 HCAR1 (0.40) ALDH1A1SMN1; SMN2LMNATYMS

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-1344775-B1 Preparation of fungicidal quinazolinones and useful intermediates DU PONT (US) 2006-11-29 EP disclosed
EP-0922037-B1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES DU PONT (US) 2003-10-01 EP disclosed
EP-1344775-A1 Preparation of fungicidal quinazolinones and useful intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-17 EP disclosed