SCHEMBL6892803

SCHEMBL6892803

CC(=O)[n+]1ccccc1N(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
HPGD P15428 1/20 0.33
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 1/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CASP3 P42574 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL751188 0.71 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPTHPGDNOTUM
SCHEMBL297321 0.68 USP2 (0.36) SMN1; SMN2ALDH1A1GAAHPGDTDP1
SCHEMBL5574797 0.67 HDAC8 (0.46) SMN1; SMN2ALDH1A1MAPTTSHRRAB9A
SCHEMBL1305860 0.66 KMT2A (0.44) SMN1; SMN2ALDH1A1MAPTGAATSHR
Hydrochloric Acid SCHEMBL28163992 0.64 MEN1 (0.47) ALDH1A1HPGDKMT2AMEN1
Bromide SCHEMBL3802226 0.60 HDAC8 (0.35) SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL15224071 0.60 TSPO (0.55) SMN1; SMN2ALDH1A1MAPTTP53GAA
SCHEMBL28505390 0.60 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTTSHRRAB9A
Acetic Acid SCHEMBL2680615 0.60 RAB9A (0.61) SMN1; SMN2ALDH1A1MAPTGAATSHR
Acetone SCHEMBL28096825 0.60 RAB9A (0.61) SMN1; SMN2ALDH1A1MAPTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095698-B1 Method of producing oligonucleotide arrays AGILENT TECHNOLOGIES INC (US) 2004-01-02 EP disclosed
EP-0990047-B1 METHODS AND COMPOSITIONS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY QIAGEN GENOMICS INC (US) 2003-05-14 EP disclosed
EP-1095698-A2 Method of producing oligonucleotide arrays Agilent Technologies Inc (US) 2001-05-02 EP disclosed
US-6077674-A Method of producing oligonucleotide arrays with features of high purity AGILENT TECHNOLOGIES INC. (US) 2000-06-20 US disclosed