SCHEMBL6938197

SCHEMBL6938197

Cc1sc[n+](CC(=O)c2ccc(Br)cc2)c1C

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.97
L3MBTL1 Q9Y468 2/20 0.56
AHR P35869 1/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR6 P51684 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
RECQL P46063 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
RAD52 P43351 1/20 0.49

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 SCHEMBL2956158 0.98 KMT2A (1.00) KMT2AL3MBTL1AHROPRM1OPRD1
SCHEMBL6535467 0.86 KMT2A (0.74) KMT2AL3MBTL1AHROPRM1OPRD1
Bromide SCHEMBL3845600 0.85 KMT2A (0.76) KMT2AL3MBTL1AHROPRM1OPRD1
Bromide SCHEMBL5004646 0.85 KMT2A (0.76) KMT2AL3MBTL1AHROPRM1OPRD1
Alagebrium SCHEMBL1820212 0.84 KMT2A (0.71) KMT2AOPRM1OPRD1ALDH1A1MAPT
Bromide SCHEMBL5004644 0.84 KMT2A (0.74) KMT2AL3MBTL1AHROPRM1OPRD1
Bromide SCHEMBL3849500 0.84 KMT2A (0.74) KMT2AL3MBTL1AHROPRM1OPRD1
Alagebrium SCHEMBL225618 0.83 KMT2A (0.69) KMT2AOPRM1OPRD1ALDH1A1MAPT
Alagebrium SCHEMBL1648822 0.83 KMT2A (0.74) KMT2AL3MBTL1AHROPRM1OPRD1
SCHEMBL6939126 0.82 KMT2A (0.67) KMT2AL3MBTL1AHROPRM1OPRD1

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