SCHEMBL6933448

SCHEMBL6933448

Cc1c(CCO)sc[n+]1CC(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
MAPT P10636 7/20 0.46
NPSR1 Q6W5P4 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MITF O75030 1/20 0.43
RAD52 P43351 1/20 0.43
PTPN1 P18031 1/20 0.43

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
Bromide SCHEMBL3848882 0.99 OPRM1 (0.52) OPRM1OPRD1MAPTNPSR1KMT2A
SCHEMBL6937914 0.85 OPRM1 (0.61) OPRM1OPRD1MAPTNPSR1KMT2A
Bromide SCHEMBL2947503 0.84 OPRM1 (0.64) OPRM1OPRD1MAPTNPSR1KMT2A
Bromide SCHEMBL3848606 0.83 KMT2A (0.64) OPRM1OPRD1MAPTNPSR1KMT2A
SCHEMBL6103657 0.81 POLB (0.48) OPRM1OPRD1MAPTNPSR1KMT2A
SCHEMBL6935373 0.81 OPRM1 (0.52) OPRM1OPRD1MAPTNPSR1KMT2A
Bromide SCHEMBL3846880 0.81 POLB (0.50) OPRM1OPRD1MAPTNPSR1KMT2A
SCHEMBL6935005 0.80 MITF (0.55) OPRM1OPRD1MAPTNPSR1KMT2A
SCHEMBL6939126 0.80 KMT2A (0.67) OPRM1OPRD1MAPTNPSR1KMT2A
Bromide SCHEMBL3844426 0.80 OPRM1 (0.53) OPRM1OPRD1MAPTNPSR1KMT2A

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
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 EP claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 US claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 US disclosed