SCHEMBL4956341

SCHEMBL4956341

NC(=O)Cn1ccccc1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
PSMB5 P28074 2/20 0.48
PSMB1 P20618 2/20 0.46
PREP P48147 1/20 0.46
FAP Q12884 1/20 0.46
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
IDO1 P14902 1/20 0.40
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9752669 0.83 TSHR (0.57) TSHRPSMB5PSMB1PREPFAP
SCHEMBL1280773 0.82 TSHR (0.56) TSHRPSMB5PSMB1PREPFAP
SCHEMBL6047270 0.81 PSMB1 (0.56) TSHRPSMB5PSMB1POLBNPSR1
SCHEMBL11964126 0.80 TSHR (0.54) TSHRPSMB5PSMB1PREPFAP
SCHEMBL11827268 0.80 TSHR (0.54) TSHRPSMB5PSMB1PREPFAP
SCHEMBL2825177 0.79 PSMB5 (0.55) TSHRPSMB5PSMB1PREPFAP
SCHEMBL10813398 0.78 ESR1 (0.42) TSHRCYP2C19KMT2AHPGDL3MBTL1
SCHEMBL9752613 0.78 TSHR (0.51) TSHRPSMB5PSMB1PREPFAP
SCHEMBL10656937 0.77 TSHR (0.59) TSHRPSMB5PSMB1POLBKMT2A
SCHEMBL12530443 0.77 TSHR (0.51) TSHRPSMB5PSMB1PREPFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375079-B2 Previns as specific inhibitors and therapeutic agents for botulinum toxin B and tetanus neurotoxins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2008-05-20 US claimed
US-20060247176-A1 Previns as specific inhibitors and therapeutic agents for Botulinum toxin B and Tetanus neurotoxins ARMY, GOVERNMENT OF THE UNITED STATES DEPARTMENT OF THE ARMY (US) 2006-11-02 US claimed
US-20050113304-A1 Previns as specific inhibitors and therapeutic agents for Botulinum toxin B and Tetanus neurotoxins ARMY, GOVERNMENT OF THE UNITED STATES DEPARTMENT OF THE ARMY (US) 2005-05-26 US claimed
US-6573244-B1 Compound in purified and isolated form or salts, esters, amides, and acyl forms thereof, selected from peptides having specified amino acid sequences THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2003-06-03 US claimed
WO-2022081983-A1 INHIBITING HUMAN INTEGRIN A4B7 MORPHIC THERAPEUTIC, INC. (US) 2022-04-21 WO disclosed
US-3994874-A ANTIBACTERIAL RICHARDSON-MERRELL INC. (US) 1976-11-30 US disclosed
US-3956287-A BACTERICIDES RICHARDSON-MERRELL INC. (US) 1976-05-11 US disclosed