SCHEMBL6939769

SCHEMBL6939769

O=C(C[n+]1csc2ccccc21)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.53
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 8/20 0.53
MEN1 O00255 7/20 0.53
HPGD P15428 6/20 0.53
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.49
ALPG P10696 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.48
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRM1 P35372 1/20 0.41

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 SCHEMBL2954113 0.98 KMT2A (0.55) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL6939311 0.88 KMT2A (0.57) KMT2AKDM4EALDH1A1MEN1HPGD
Bromide SCHEMBL2953526 0.87 KMT2A (0.59) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL6936085 0.85 ALDH1A1 (0.57) KMT2AKDM4EALDH1A1MEN1HPGD
Bromide SCHEMBL2951033 0.83 ALDH1A1 (0.60) KMT2AKDM4EALDH1A1MEN1HPGD
Bromide SCHEMBL8390275 0.83 ALDH1A1 (0.60) KMT2AKDM4EALDH1A1MEN1HPGD
Bromide SCHEMBL8390272 0.82 ALDH1A1 (0.58) KMT2AKDM4EALDH1A1MEN1HPGD
Bromide SCHEMBL3965832 0.81 HSD11B1 (0.44) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL6937917 0.81 TDP1 (0.55) KMT2AKDM4EMEN1HPGDMAPT
Bromide SCHEMBL3846583 0.80 KDM4E (0.56) KMT2AKDM4EALDH1A1MEN1HPGD

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
US-RE38330-E1 Preventing and reversing advanced glycosylation endproducts ALTEON INC. 2003-11-25 US claimed
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