SCHEMBL9348595

SCHEMBL9348595

COc1c(OC)c(OC)c2c(c1O)c(=O)c1ccc(O)cc1n2C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.60
KDM1A O60341 1/20 0.49
MAOA P21397 2/20 0.41
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PABPC1 P11940 1/20 0.39
RET P07949 2/20 0.39
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.38
KDM5A P29375 1/20 0.38
ESR2 Q92731 1/20 0.38
EGFR P00533 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
SCHEMBL9352227 0.90 CTSV (0.60) CTSVKDM1AMAOACYP19A1KDM4E
SCHEMBL9352095 0.81 CTSV (0.51) CTSVKDM1AALDH1A1GAAHPGD
Glyfoline SCHEMBL31285722 0.78 CTSV (0.74) CTSVKDM1AMAOACYP19A1KDM4E
Glyfoline SCHEMBL9348448 0.78 CTSV (0.74) CTSVKDM1AMAOACYP19A1KDM4E
SCHEMBL9348539 0.77 CTSV (0.68) CTSVKDM1AMAOACYP19A1KDM4E
Citibrasine SCHEMBL9352197 0.75 CTSV (1.00) CTSVKDM1AMAOACYP19A1KDM4E
SCHEMBL6579613 0.75 ALDH1A1 (0.51) KDM1AKDM4EALDH1A1GLAGAA
SCHEMBL9348440 0.74 MAOB (0.55) CTSVKDM1AKDM4EALDH1A1HPGD
SCHEMBL29877319 0.74 CTSV (0.53) CTSVKDM1AMAOACYP19A1KDM4E
SCHEMBL31087387 0.73 MGAM (0.51) CTSVKDM1AMAOAKDM4EALDH1A1

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