SCHEMBL29155609

SCHEMBL29155609

O=C(Nc1ccccn1)c1ccncc1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.83
NPC1 O15118 6/20 0.83
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
F2 P00734 1/20 0.65
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.63
NAMPT P43490 1/20 0.63
PKM P14618 3/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
ALOX15 P16050 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL29366822 0.89 RAB9A (0.89) RAB9ANPC1KMT2AMEN1F2
SCHEMBL997866 0.89 RAB9A (0.89) RAB9ANPC1KMT2AMEN1F2
SCHEMBL7189774 0.87 RAB9A (0.86) RAB9ANPC1KMT2AMEN1F2
Hydrochloric Acid SCHEMBL27681799 0.87 RAB9A (0.86) RAB9ANPC1KMT2AMEN1F2
SCHEMBL5011704 0.84 RAB9A (0.86) RAB9ANPC1KMT2AMEN1F2
SCHEMBL16583895 0.84 RAB9A (0.86) RAB9ANPC1KMT2AMEN1F2
SCHEMBL22636483 0.84 RAB9A (0.80) RAB9ANPC1KMT2AMEN1F2
SCHEMBL10978860 0.84 RAB9A (0.86) RAB9ANPC1KMT2AMEN1F2
Benzoic Acid SCHEMBL8529424 0.84 RAB9A (0.80) RAB9ANPC1KMT2AMEN1F2
SCHEMBL18131146 0.83 RAB9A (0.78) RAB9ANPC1KMT2AMEN1F2

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
CN-117304051-A Preparation method of anilinamide compound 南昌大学 2023-12-29 CN disclosed