SCHEMBL8025848

SCHEMBL8025848

O=[N+]([O-])c1cccc(-n2ncnn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SCN2A Q99250 1/20 0.49
KDM4E B2RXH2 1/20 0.49
FGFR1 P11362 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL30782027 0.81 SCN2A (0.57) HPNLMNATSHRKEAP1NFE2L2
SCHEMBL2627226 0.81 SCN2A (0.57) HPNLMNATSHRKEAP1NFE2L2
SCHEMBL1186577 0.80 KMT2A (0.50) MAPTMEN1KMT2ASCN2ASMN1; SMN2
Hydrochloric Acid SCHEMBL10799631 0.78 KMT2A (0.49) MAPTMEN1KMT2ASCN2ASMN1; SMN2
SCHEMBL8230259 0.74 NOTUM (0.51) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL21876439 0.74 MAPT (0.49) HPNLMNATSHRMAPTMEN1
SCHEMBL20502000 0.74 SMN1; SMN2 (0.52) HPNLMNATSHRKEAP1NFE2L2
SCHEMBL2627225 0.73 NOTUM (0.59) HPNLMNATSHRKEAP1NFE2L2
SCHEMBL4456339 0.73 KEAP1 (0.51) HPNLMNATSHRKEAP1NFE2L2
SCHEMBL3164608 0.73 KMT2A (0.55) HPNLMNATSHRKEAP1NFE2L2

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
US-6037345-A Method for inhibiting neoplastic cells and related conditions by exposure to quinazolinedione and pyridopyrimidinedione derivatives CELL PATHWAYS, INC. (US) 2000-03-14 US disclosed
EP-0260817-B1 QUINAZOLINEDIONES AND PYRIDOPYRIMIDINEDIONES PFIZER INC. (US) 1991-05-15 EP disclosed
US-4880810-A Quinazolinediones and pyridopyrimidinediones PFIZER INC. (US) 1989-11-14 US disclosed
US-4797403-A Quinazolinediones and pyridopyrimidinediones PFIZER INC. (US) 1989-01-10 US disclosed
EP-0260817-A1 Quinazolinediones and pyridopyrimidinediones PFIZER INC. (US) 1988-03-23 EP disclosed