SCHEMBL6972012

SCHEMBL6972012

CC(=O)NCc1nc(C(C)C)c(Sc2cccc([N+](=O)[O-])c2)n1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 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
SCHEMBL7079210 0.91 LMNA (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6967380 0.89 HSP90AA1 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6966426 0.89 IRAK4 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6966439 0.87 HSP90AA1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6975564 0.85 PKM (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6969746 0.85 MEN1 (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL6964269 0.85 HSP90AA1 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6962662 0.85 HSP90AA1 (0.41) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL6956933 0.85 HSP90AA1 (0.41) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL8345499 0.84 FFAR1 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A

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