SCHEMBL6965320

SCHEMBL6965320

CCCn1c(CO)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GRM5 P41594 3/20 0.34
DHFR P00374 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.32
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6961885 0.91 TP53 (0.37) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6973041 0.89 HSP90B1 (0.35) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL6969476 0.86 MEN1 (0.39) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6975192 0.86 TDP1 (0.43) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6966933 0.85 TSHR (0.35) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6974816 0.84 ALOX12 (0.36) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL7079909 0.84 IDO1 (0.36) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6960470 0.82 TP53 (0.36) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6972786 0.82 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL6966836 0.82 HSP90B1 (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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