SCHEMBL7101435

SCHEMBL7101435

CCCn1c(Cl)nc2ccc(I)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.41
TNF P01375 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
DPP4 P27487 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PLK1 P53350 1/20 0.36
ADORA2A P29274 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
SCHEMBL8405843 0.91 TNF (0.43) ADORA2BTNFSMN1; SMN2KDM4EALDH1A1
SCHEMBL5712366 0.89 KDM4E (0.40) TNFSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8424278 0.84 LMNA (0.43) ADORA2BSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL31240990 0.83 CACNA2D1 (0.47) ADORA2BMEN1KMT2A
SCHEMBL5712361 0.81 ADORA2B (0.40) ADORA2BSMN1; SMN2ALDH1A1ADORA2A
SCHEMBL7100456 0.81 DHFR (0.43) SMN1; SMN2KDM4EALDH1A1HPGDNPSR1
SCHEMBL5712376 0.81 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5712394 0.80 MTNR1A (0.40) ADORA2BSMN1; SMN2ALDH1A1ADORA2A
SCHEMBL8401780 0.80 DHFR (0.43) SMN1; SMN2KDM4EALDH1A1HPGDNPSR1
SCHEMBL5712377 0.80 ALDH1A1 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922037-B1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES DU PONT (US) 2003-10-01 EP claimed
US-6166208-A Preparation of fungicidal quinazolinones and useful intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-12-26 US claimed
EP-0922037-A1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-16 EP claimed
WO-1997048684-A1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-24 WO claimed
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-0946095-A1 FUNGICIDAL QUINAZOLINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-06 EP 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-1998026664-A1 FUNGICIDAL QUINAZOLINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-25 WO 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