SCHEMBL9053549

SCHEMBL9053549

CC1=CCN(c2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD2 P25440 5/20 0.44
BRD4 O60885 4/20 0.44
BRD3 Q15059 4/20 0.44
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
CES2 O00748 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BCHE P06276 1/20 0.34
GAA P10253 1/20 0.34
CES1 P23141 1/20 0.34
MAPT P10636 1/20 0.33
NFKB1 P19838 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
SCHEMBL29738286 0.75 CES1 (0.35) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL4432600 0.75 CES1 (0.35) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL20125004 0.73 LMNA (0.38) SMN1; SMN2LMNAMEN1KMT2ANPSR1
Iodide SCHEMBL27878012 0.73 CES1 (0.34) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2543813 0.70 NPY5R (0.34) BRD2BRD4BRD3SMN1; SMN2LMNA
SCHEMBL29276950 0.70 LMNA (0.33) LMNANPSR1ALDH1A1MAPTUSP2
SCHEMBL1997095 0.70 CACNA1G (0.43) BRD2BRD4BRD3LMNASIGMAR1
Iodide SCHEMBL9515823 0.69 NPY5R (0.33) BRD2BRD4BRD3SMN1; SMN2LMNA
Bromide SCHEMBL27894866 0.69 NPY5R (0.33) BRD2BRD4BRD3SMN1; SMN2LMNA
SCHEMBL2538868 0.68 LMNA (0.34) LMNAMEN1KMT2ANPSR1ALDH1A1

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-5545535-A USING MIXTURE OF FLUORESCENT DYES MOLECULAR PROBES, INC. (US) 1996-08-13 US disclosed
US-5436134-A Fluorescent dyes for nucleic acids MOLECULAR PROBES, INC. (US) 1995-07-25 US disclosed