SCHEMBL6914752

SCHEMBL6914752

CCN(CC)c1ccc(Nc2ccc(O)c(Cl)c2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.44
GFER P55789 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 8/20 0.42
HTT P42858 4/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
S100B P04271 1/20 0.41
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK13 O15264 1/20 0.40

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
SCHEMBL7779135 0.78 ALDH1A1 (0.50) GFERMEN1KMT2AMAPTHTT
SCHEMBL11421724 0.76 RPS6KA2 (0.52) GFERMEN1KMT2AMAPTHTT
SCHEMBL13560846 0.73 ALDH1A1 (0.56) GFERMEN1KMT2AMAPTHTT
SCHEMBL10485810 0.73 S100B (0.60) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7770385 0.72 S100B (0.55) GFERMEN1KMT2AMAPTHTT
SCHEMBL3914779 0.72 S100B (0.55) GHSRGFERMEN1KMT2AMAPT
SCHEMBL5452704 0.70 ALDH1A1 (0.58) GFERMEN1KMT2AMAPTHTT
SCHEMBL10776285 0.69 S1PR1 (0.62) GHSRGFERMEN1KMT2AMAPT
SCHEMBL9013387 0.69 ESR2 (0.55) GFERMEN1KMT2AMAPTLMNA
SCHEMBL8977999 0.69 NPC1 (0.46) MEN1KMT2AMAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767809-B1 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING & MFG (US) 2004-01-21 EP disclosed
EP-0768860-B1 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING & MFG (US) 2003-04-23 EP disclosed
US-5596025-A POLYSILOXANE CURABLE BY HYDROSILATION REACTION, COLOR CHANGE ON CURING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-21 US disclosed
US-5583178-A ADDITION POLYMER AND A CURE INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-10 US disclosed
WO-1996000745-A2 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO disclosed