SCHEMBL6935005

SCHEMBL6935005

Cc1c(CCO)sc[n+]1CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.55
RAD52 P43351 1/20 0.55
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
KMT2A Q03164 4/20 0.50
MAPT P10636 7/20 0.47
NPSR1 Q6W5P4 5/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TKT P29401 7/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCR6 P51684 1/20 0.46

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 SCHEMBL3843860 0.99 MITF (0.57) MITFRAD52OPRM1OPRD1KMT2A
SCHEMBL6939126 0.87 KMT2A (0.67) MITFRAD52OPRM1OPRD1KMT2A
SCHEMBL6937914 0.86 OPRM1 (0.61) OPRM1OPRD1KMT2AMAPTNPSR1
Bromide SCHEMBL2946955 0.86 KMT2A (0.70) MITFRAD52OPRM1OPRD1KMT2A
Bromide SCHEMBL2947503 0.85 OPRM1 (0.64) MITFRAD52OPRM1OPRD1KMT2A
SCHEMBL6935373 0.85 OPRM1 (0.52) MITFRAD52OPRM1OPRD1KMT2A
Bromide SCHEMBL3844426 0.84 OPRM1 (0.53) MITFRAD52OPRM1OPRD1KMT2A
SCHEMBL3849469 0.83 MITF (0.59) MITFRAD52OPRM1OPRD1TKT
Bromide SCHEMBL3850355 0.82 OPRM1 (0.49) MITFRAD52OPRM1OPRD1KMT2A
Bromide SCHEMBL3853607 0.81 OPRM1 (0.48) MITFRAD52OPRM1OPRD1KMT2A

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 2 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