SCHEMBL7787699

SCHEMBL7787699

c1cnc2cc3occc3cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.44
CYP2A6 P11509 3/20 0.41
MAOA P21397 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
ACHE P22303 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDK9 P50750 1/20 0.39
KMO O15229 1/20 0.35
PTPN1 P18031 1/20 0.33
MAOB P27338 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL20773930 0.77 CYP2A6 (0.35) DYRK1ACYP2A6MAOAKDM4ECYP3A4
SCHEMBL2149910 0.75 CYP2A6 (0.54) DYRK1ACYP2A6MAOAKDM4ECYP3A4
SCHEMBL4137601 0.75 DYRK1A (0.42) DYRK1ACYP2A6MAOAKDM4ECYP3A4
SCHEMBL4137615 0.75 CYP2A6 (0.43) DYRK1ACYP2A6MAOAKDM4ECYP3A4
SCHEMBL11096458 0.75 TDP1 (0.43) DYRK1AKDM4ENFKB1HSD17B10CDK9
SCHEMBL10752633 0.74 CCNB2 (0.40) DYRK1ACYP2A6MAOAKDM4ECYP3A4
SCHEMBL4416833 0.73 CYP2A6 (0.64) DYRK1ACYP2A6MAOAKDM4ECYP3A4
SCHEMBL4138533 0.71 DYRK1A (0.39) DYRK1ACYP2A6MAOAKDM4ECYP3A4
SCHEMBL15834852 0.71 KDM4E (0.44) DYRK1AKDM4ECYP3A4CDK9NAMPT
SCHEMBL4134529 0.71 DYRK1A (0.39) DYRK1ACYP2A6MAOAKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115460-A1 BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-06-06 WO disclosed
WO-2024068860-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-04-04 WO disclosed
WO-2023210833-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-02 WO disclosed
WO-2023208837-A1 OLIGOMERIC BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2023-11-02 WO disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-05-20 US disclosed