SCHEMBL7086092

SCHEMBL7086092

CCn1c(CNC(N)=O)nc(C(C)C)c1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CXCL12 P48061 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 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
SCHEMBL7084307 0.90 SMN1; SMN2 (0.44) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6968447 0.87 CA2 (0.38) LMNAHTTALDH1A1
SCHEMBL6972417 0.87 TP53 (0.39) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7084970 0.86 MAPT (0.37) MEN1KMT2ASMN1; SMN2RECQLTP53
SCHEMBL6961674 0.85 TP53 (0.39) LMNAMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL7082939 0.84 SMN1; SMN2 (0.31) LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6961868 0.84 F2 (0.31) LMNAHTTALDH1A1MAPT
SCHEMBL6974137 0.84 CYP2C9 (0.32) LMNAHTTRECQL
SCHEMBL7082911 0.84 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL7079372 0.84 IRAK4 (0.38) LMNAKMT2ASMN1; SMN2RECQLALDH1A1

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