SCHEMBL1237403

SCHEMBL1237403

O=[N+]([O-])C(Cl)=Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.69
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TERT O14746 1/20 0.33
TTR P02766 1/20 0.33
AHR P35869 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
ABL2 P42684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1237402 1.00 FBP1 (0.69) FBP1TSHRALDH1A1TERTTTR
SCHEMBL630963 0.82 FBP1 (1.00) FBP1ALDH1A1KDM4EPOLB
SCHEMBL30295762 0.82 FBP1 (1.00) FBP1ALDH1A1KDM4EPOLB
SCHEMBL630964 0.82 FBP1 (1.00) FBP1ALDH1A1KDM4EPOLB
SCHEMBL525207 0.82 FBP1 (1.00) FBP1ALDH1A1KDM4EPOLB
SCHEMBL1235881 0.74 FBP1 (0.51) FBP1
SCHEMBL1235882 0.74 FBP1 (0.51) FBP1
SCHEMBL632451 0.73 FBP1 (1.00) FBP1TSHRALDH1A1
SCHEMBL632452 0.73 FBP1 (1.00) FBP1TSHRALDH1A1
SCHEMBL632453 0.73 FBP1 (1.00) FBP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431595-B2 Furanopyridine cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-04-30 US disclosed
WO-2011022692-A2 FURANOPYRIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO disclosed
WO-2011022694-A2 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO disclosed
WO-2011022679-A2 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO disclosed