SCHEMBL9628928

SCHEMBL9628928

CN(C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 2/20 0.58
HPGD P15428 2/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RECQL P46063 1/20 0.53
PGR P06401 5/20 0.49
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 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
SCHEMBL6579776 0.80 KMT2A (0.71) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL7014724 0.76 RECQL (0.67) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL9715632 0.75 MEN1 (0.59) KMT2AKDM4EALDH1A1HPGDRECQL
SCHEMBL10675926 0.75 KMT2A (0.73) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL11369367 0.75 KMT2A (0.68) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL3427228 0.75 MAPK1 (0.76) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL9257129 0.74 KMT2A (0.61) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL11643126 0.74 KMT2A (0.57) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL11622091 0.72 KDM4E (0.61) KMT2AKDM4EALDH1A1CYP1A2HPGD
SCHEMBL5330915 0.72 KDM4E (0.68) KMT2AKDM4EALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232328-B1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1992-04-15 EP claimed
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP claimed
EP-0338010-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE. SCHERING CORP (US) 1989-10-25 EP claimed
WO-1988004172-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1988-06-16 WO claimed
EP-0232328-A1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS. SCHERING CORP (US) 1987-08-19 EP claimed
WO-1987000752-A2 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1987-02-12 WO claimed
EP-0232328-B1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1992-04-15 EP disclosed
US-4902693-A Anti-allergic esters, acetal ethers, thioethers and nitrogen substituted derivatives of bicyclic compounds SCHERING CORPORATION (US) 1990-02-20 US disclosed
EP-0302303-A2 Bicyclic compounds, their use as pharmaceuticals, their preparation, and intermediates useful in their preparation SCHERING CORPORATION (US) 1989-02-08 EP disclosed
US-4794116-A ANTIINFLAMMATORY AGENTS, CYTOPROTECTIVE AGENTS IN TREATMENT OF HYPERPROLIFERATIVE SKIN DISEASE SCHERING CORPORATION (US) 1988-12-27 US disclosed
US-4782067-A Anti-allergic composition containing zwitterionic bicyclic compounds SCHERING CORPORATION (US) 1988-11-01 US disclosed
EP-0232328-A1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS. SCHERING CORP (US) 1987-08-19 EP disclosed
US-4684727-A Zwitterionic 1,8-naphthyridine and pyrazino[2,3-b]pyridine containing compounds useful as anti-allergic, anti-inflammatory and cycloprotective agents SCHERING CORPORATION (US) 1987-08-04 US disclosed
WO-1987000752-A2 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1987-02-12 WO disclosed