SCHEMBL5712412

SCHEMBL5712412

C=CCSc1ncc2ccccc2[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
ATM Q13315 1/20 0.37
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 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
SCHEMBL8423013 0.74 ATM (0.44) ATMRAB9ANPC1
SCHEMBL400031 0.74 ATM (0.40) ATMALDH1A1RAB9ANPC1
SCHEMBL5259264 0.69 ATM (0.48) MEN1KMT2AATMRAB9ANPC1
SCHEMBL14699551 0.66 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1HPGDALDH1A1
SCHEMBL4620642 0.65 ATM (0.48) MEN1KMT2AATMRAB9ANPC1
SCHEMBL3535166 0.65 ATM (0.48) MEN1KMT2AATMRAB9ANPC1
SCHEMBL8424490 0.65 ATM (0.48) MEN1KMT2AATMRAB9ANPC1
SCHEMBL4559941 0.65 ATM (0.48) MEN1KMT2AATMRAB9ANPC1
SCHEMBL6081734 0.65 ATM (0.44) ATMRAB9ANPC1
SCHEMBL4288878 0.65 ATM (0.44) ATMRAB9ANPC1

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
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
US-6166208-A Preparation of fungicidal quinazolinones and useful intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-12-26 US disclosed
EP-0922037-A1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-16 EP disclosed
WO-1997048684-A1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-24 WO disclosed