SCHEMBL6772222

SCHEMBL6772222

Cc1sc2ccccc2c1C(=O)C[n+]1csc(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
CNR2 P34972 6/20 0.35
CNR1 P21554 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSD11B1 P28845 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL5071121 0.84 HSD11B1 (0.50) KMT2ALMNAMAPK1HSD11B1KDM4E
Bromide SCHEMBL3853747 0.83 KMT2A (0.51) KMT2ALMNAMAPK1HSD11B1OPRM1
SCHEMBL6535502 0.77 KMT2A (0.56) KMT2AMAPK1OPRM1OPRD1ALDH1A1
Bromide SCHEMBL23535416 0.77 KMT2A (0.50) KMT2ALMNAMAPK1OPRM1OPRD1
SCHEMBL6766613 0.77 SLC9A1 (0.47) KMT2AMAPT
Alagebrium SCHEMBL1820212 0.77 KMT2A (0.71) KMT2ALMNAMAPK1OPRM1OPRD1
Alagebrium SCHEMBL1648822 0.76 KMT2A (0.74) KMT2ALMNAMAPK1L3MBTL1OPRM1
Alagebrium SCHEMBL225618 0.76 KMT2A (0.69) KMT2ALMNAMAPK1OPRM1OPRD1
SCHEMBL5399193 0.75 LMNA (0.44) LMNAMAPK1CNR2CNR1L3MBTL1
Hydrochloric Acid SCHEMBL3845110 0.75 KMT2A (0.53) KMT2AMAPK1OPRM1OPRD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790859-B2 THERAPY OR REDUCING PROGRESSION OF HYPERTENSION OR DAMAGE TO A TISSUE CAUSED BY CONTACT WITH ELEVATED LEVELS OF REDUCING SUGARS IN AN ANIMAL, COMPRISING ADMINISTERING TO THE ANIMAL AN EFFECTIVE AMOUNT OF THIAZOLIUM COMPOUNDS ALTEON INCORPORATED 2004-09-14 US claimed