SCHEMBL9684802

SCHEMBL9684802

CCN(CC)c1ccc(C(=O)C(=O)c2ccc(N(CC)CC)cc2C)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 9/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 4/20 0.47
HSD17B10 Q99714 4/20 0.47
LMNA P02545 3/20 0.47
ALOX15 P16050 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 4/20 0.46
HTT P42858 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 3/20 0.44

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
SCHEMBL472297 0.87 SMN1; SMN2 (0.57) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3226363 0.86 S100B (0.56) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL11482153 0.84 S100B (0.50) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL12765205 0.84 S100B (0.50) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL27714618 0.83 MAOB (0.58) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL10472241 0.81 S100B (0.55) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL10471619 0.81 S100B (0.55) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL24862087 0.80 S100B (0.46) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL10478051 0.80 MEN1 (0.45) S100BSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL27977635 0.80 S100B (0.53) S100BSMN1; SMN2MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164512-A Triarylimidazole derivative, determination of hydrogen peroxide generated by enzymatic reaction WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-17 US disclosed
EP-0404526-A1 Oxidizable color producing reagent WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-12-27 EP disclosed