SCHEMBL5712355

SCHEMBL5712355

CCCNc1ccc(I)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPRA P18433 1/20 0.55
PTPRB P23467 1/20 0.55
PTPRE P23469 1/20 0.55
PTPN6 P29350 1/20 0.55
KDM6B O15054 2/20 0.51
KDM4C Q9H3R0 2/20 0.51
CISD1 Q9NZ45 1/20 0.48
APEX1 P27695 1/20 0.48
HCAR3 P49019 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.44
IDO1 P14902 2/20 0.44
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
PLK1 P53350 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL7356043 0.89 PLK1 (0.53) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL3898806 0.88 PTPRC (0.60) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL15636019 0.83 PTGER4 (0.55) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL17938288 0.82 HCAR3 (0.62) KDM6BKDM4CCISD1APEX1HCAR3
SCHEMBL15635660 0.81 APEX1 (0.72) KDM6BKDM4CCISD1APEX1HCAR3
SCHEMBL8991944 0.81 KDM6B (0.51) KDM6BKDM4CCISD1APEX1HCAR3
SCHEMBL15639856 0.81 KDM4E (0.59) KDM6BKDM4CCISD1APEX1HCAR3
SCHEMBL14075416 0.78 PLK1 (0.62) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL2384775 0.78 PTPRC (0.64) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL3888815 0.77 LIPC (0.63) KDM6BKDM4CCISD1APEX1KDM4E

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 5 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-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