SCHEMBL7728110

SCHEMBL7728110

O=C(Nc1cccc(-c2c[nH]cn2)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
RAB9A P51151 3/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KCNK3 O14649 4/20 0.56
KCNK9 Q9NPC2 3/20 0.56
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
MEN1 O00255 5/20 0.54
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.54
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
COMT P21964 1/20 0.53

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
SCHEMBL6924233 0.82 SMN1; SMN2 (0.56) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL23758255 0.82 KMT2A (0.60) KMT2ARAB9AMAPTNPC1GAA
SCHEMBL31680514 0.81 MEN1 (0.51) KMT2ARAB9ANPC1MEN1TP53
Hydrochloric Acid SCHEMBL31679089 0.81 KMT2A (0.59) KMT2ARAB9AMAPTNPC1GAA
SCHEMBL1759307 0.80 KMO (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5613044 0.79 KMT2A (0.57) KMT2ARAB9AMAPTNPC1GAA
SCHEMBL12647571 0.79 MAP4K4 (0.49) KMT2AMEN1
Hydrochloric Acid SCHEMBL1502412 0.79 KMO (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20227586 0.78 KCNK3 (0.79) KMT2ARAB9ANPC1KCNK3KCNK9
SCHEMBL10953295 0.77 KDM4E (0.55) RAB9AMAPTNPC1GAANPSR1

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
US-6403302-B1 DOUBLE HELICAL NUCLEIC ACID COMPRISING COMPLEMENTARY STRANDS AND OLIGONUCLEOTIDE BOUND TO TARGET SEQUENCE WITHIN; GENETIC ENGINEERING; DIAGNOSING GENE DISORDERS; ANTIPARALLEL ORIENTATION; NON-DENATURING CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-06-11 US disclosed