SCHEMBL26334530

SCHEMBL26334530

Cn1ccc(CC(=O)NI)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOTUM Q6P988 1/20 0.39
EPHX2 P34913 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CCNE1 P24864 5/20 0.37
CDK2 P24941 5/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PDK1 Q15118 1/20 0.36
NAMPT P43490 1/20 0.36
GSK3B P49841 2/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL24934212 0.84 GLS (0.48) GLSALDH1A1KDM4ELMNAHTT
SCHEMBL1483733 0.83 GLS (0.47) GLSALDH1A1KDM4ELMNAHTT
SCHEMBL25862562 0.80 CCNE1 (0.47) GLSALDH1A1KDM4ELMNAHTT
SCHEMBL16156123 0.78 EPHX2 (0.42) GLSALDH1A1KDM4ELMNAHTT
SCHEMBL12956415 0.78 SMN1; SMN2 (0.42) GLSALDH1A1KDM4ELMNAHTT
SCHEMBL27985607 0.78 EPHX2 (0.51) GLSALDH1A1KDM4ELMNAHTT
SCHEMBL11108995 0.77 KDM4E (0.42) GLSALDH1A1KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL23581663 0.77 EPHX2 (0.41) GLSALDH1A1KDM4ELMNAHTT
SCHEMBL12964154 0.71 NAMPT (0.45) GLSALDH1A1KDM4ELMNAHTT
SCHEMBL26866954 0.71 EPHX2 (0.39) GLSALDH1A1KDM4ELMNAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed