SCHEMBL6958244

SCHEMBL6958244

CCn1c(COC(=S)NC)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM5 P41594 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A9 P48067 1/20 0.30
TYMS P04818 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
SCHEMBL6974836 0.90
SCHEMBL7078929 0.89 TP53 (0.37) TP53RXFP1ALOX12RAB9ASMN1; SMN2
SCHEMBL6969443 0.89 DHODH (0.32)
SCHEMBL6968860 0.89 L3MBTL1 (0.33) TP53RXFP1ALOX12GRM5MEN1
SCHEMBL6961267 0.88 ALDH1A1 (0.34) TP53RXFP1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6975076 0.88 TOP2A (0.31) MEN1KMT2A
SCHEMBL6973525 0.86 RAB9A (0.35) TP53RXFP1RAB9ASMN1; SMN2GRM5
SCHEMBL6972974 0.85 IRAK4 (0.35) SMN1; SMN2MEN1KMT2A
SCHEMBL7085898 0.85 ALDH1A1 (0.37) TP53SMN1; SMN2KMT2A
SCHEMBL7081639 0.85 ALOX12 (0.38) TP53RXFP1ALOX12RAB9ASMN1; SMN2

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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed