SCHEMBL6960602

SCHEMBL6960602

CCCn1c(COC(N)=O)nc(C(C)C)c1Sc1cc(C)cc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL6974730 0.94 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1MAPTHTTKMT2A
SCHEMBL6966653 0.92 TSSK1B (0.32) SMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL6969825 0.92 LMNA (0.31) MAPTLMNA
SCHEMBL6973113 0.90 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPTHTTKMT2A
SCHEMBL6972300 0.89 HSP90B1 (0.33) SMN1; SMN2ALDH1A1MAPTHTTKMT2A
SCHEMBL6969451 0.89 MEN1 (0.38) SMN1; SMN2ALDH1A1MAPTHTTKMT2A
SCHEMBL6963210 0.88 LMNA (0.30) LMNA
SCHEMBL6973264 0.88 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL7084745 0.88
SCHEMBL6973251 0.87 LMNA (0.36) SMN1; SMN2ALDH1A1LMNA

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