Citibrasine

Citibrasine

SCHEMBL9352197

COc1c(OC)c(OC)c2c(c1O)c(=O)c1cccc(O)c1n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSV O60911 10/20 1.00
MAPT P10636 3/20 0.51
MAOA P21397 3/20 0.48
KDM1A O60341 1/20 0.47
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP19A1 P11511 1/20 0.38

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
Glyfoline SCHEMBL9348448 0.85 CTSV (0.74) CTSVMAPTMAOAKDM1AKDM4E
Glyfoline SCHEMBL31285722 0.85 CTSV (0.74) CTSVMAPTMAOAKDM1AKDM4E
Citrusinine-Ii SCHEMBL31384316 0.84 CTSV (1.00) CTSVMAPTMAOAKDM1AHTT
Citrusinine-I SCHEMBL30093820 0.82 CTSV (1.00) CTSVMAPTMAOAKDM1AHTT
SCHEMBL9348539 0.81 CTSV (0.68) CTSVMAPTMAOAKDM1AKDM4E
SCHEMBL9352079 0.79 CTSV (0.65) CTSVMAPTMAOAKDM1AALDH1A1
SCHEMBL9352227 0.75 CTSV (0.60) CTSVMAOAKDM1AHTTKDM4E
SCHEMBL9348595 0.75 CTSV (0.60) CTSVMAOAKDM1AKDM4EALDH1A1
SCHEMBL9349831 0.74 CTSV (0.58) CTSVMAPTKDM1AALDH1A1CYP19A1
SCHEMBL9348590 0.74 CTSV (0.57) CTSVMAPTKDM1AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO claimed
US-5296602-A Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-03-22 US disclosed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO disclosed