SCHEMBL6973798

SCHEMBL6973798

CNCc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
GRM5 P41594 3/20 0.35
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NOTUM Q6P988 1/20 0.34
POLB P06746 1/20 0.34
PTPN11 Q06124 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL6967933 0.88 HSP90B1 (0.33) TP53KDM4E
SCHEMBL6974325 0.87 TP53 (0.39) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL7080431 0.86 MEN1 (0.36) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL7087586 0.86 MEN1 (0.45) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6961492 0.86 MAOA (0.36) NPSR1MAOBMAOAALDH1A1NOTUM
SCHEMBL6971356 0.86 TP53 (0.38) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6968203 0.86 MAOB (0.36) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6961416 0.86 MEN1 (0.39) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6969476 0.86 MEN1 (0.39) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6974787 0.85 SMN1; SMN2 (0.35) MAOBMAOAKDM4EALDH1A1HPGD

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