SCHEMBL6969170

SCHEMBL6969170

Cc1nc(CO)c(Sc2cccc(Cl)c2)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRM5 P41594 1/20 0.39
AKR1B1 P15121 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6966777 0.84 MEN1 (0.46) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL8345201 0.83 AKR1B1 (0.43) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6971767 0.77 SMN1; SMN2 (0.33) POLBCYP2C19
SCHEMBL6973394 0.77 MEN1 (0.42) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6973521 0.77 KMT2A (0.34) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL8345204 0.76 ALOX12 (0.41) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6961690 0.74 PTGDR2 (0.42) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6969476 0.73 MEN1 (0.39) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6975073 0.73 MEN1 (0.46) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6965870 0.69 ALDH1A1 (0.33) MEN1KMT2ANPSR1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed