SCHEMBL6974325

SCHEMBL6974325

CC(=O)NCc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
SETDB1 Q15047 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP7 Q93009 1/20 0.35

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
SCHEMBL6971356 0.91 TP53 (0.38) TP53RXFP1POLBNPSR1MAOA
SCHEMBL6965470 0.89 SETDB1 (0.33) POLBNPSR1L3MBTL1SETDB1USP7
SCHEMBL6975217 0.88 TP53 (0.39) TP53RXFP1POLBNPSR1LMNA
SCHEMBL6966537 0.87 NPSR1 (0.36) POLBNPSR1MAOAMAOBLMNA
SCHEMBL6973798 0.87 MEN1 (0.40) TP53RXFP1POLBNPSR1MAOA
SCHEMBL7084094 0.87 SMN1; SMN2 (0.40) RXFP1POLBNPSR1L3MBTL1MAPT
SCHEMBL6969476 0.84 MEN1 (0.39) TP53RXFP1POLBNPSR1MAOA
SCHEMBL7078163 0.84 MEN1 (0.38) TP53RXFP1NPSR1MAOAMAOB
SCHEMBL6968203 0.84 MAOB (0.36) TP53RXFP1NPSR1MAOAMAOB
SCHEMBL6972012 0.84 RAB9A (0.41) LMNAL3MBTL1MAPTMEN1KMT2A

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