SCHEMBL6965378

SCHEMBL6965378

CCn1c(COC(N)=O)nc(C(C)C)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL6969451 0.92 MEN1 (0.38) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL6969155 0.92 LMNA (0.30) LMNA
SCHEMBL7084188 0.91
SCHEMBL7079379 0.90 MEN1 (0.33) LMNAALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL6974392 0.90 CYP1A2 (0.33) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6974432 0.90 EPHX1 (0.35) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7077278 0.90
SCHEMBL6967644 0.90 GLA (0.32) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6972388 0.90 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6965572 0.89 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9CYP2C19

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