SCHEMBL6973949

SCHEMBL6973949

CC(C)c1c(Sc2ccccc2)nc(C=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
HRH4 Q9H3N8 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PTPN1 P18031 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
NOD2 Q9HC29 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL7084513 0.84 LMNA (0.39) MAPTALDH1A1NPSR1MAOAMAOB
SCHEMBL7084637 0.84 MAOA (0.35) MAPTALDH1A1HTTNPSR1MAOA
SCHEMBL7081207 0.82 ALDH1A1 (0.40) MAPTALDH1A1HTTNPSR1HRH4
SCHEMBL7084591 0.81 HSP90AA1 (0.42) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL7086413 0.81 DRD2 (0.32)
SCHEMBL6964200 0.77 MAPT (0.37) MAPTALDH1A1HTTNPSR1HRH4
SCHEMBL6974980 0.76 ALDH1A1 (0.36) MAPTALDH1A1HTTNPSR1L3MBTL1
SCHEMBL6961413 0.74 SMN1; SMN2 (0.39) MAPTALDH1A1HRH4MAOAMAOB
SCHEMBL6967031 0.70 CYP1A2 (0.44) MAPTALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL6965417 0.70 LMNA (0.37) MAPTALDH1A1HTTNPSR1L3MBTL1

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 3 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