SCHEMBL29080558

SCHEMBL29080558

c1ccc(-c2ccccc2-c2cn3ccccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.57
NPC1 O15118 11/20 0.57
KDM4E B2RXH2 8/20 0.57
POLB P06746 3/20 0.57
GFER P55789 3/20 0.55
ALDH1A2 O94788 2/20 0.54
ALDH1A3 P47895 2/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 1/20 0.54
PKM P14618 4/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
EPHX2 P34913 1/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
MIF P14174 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX12 P18054 1/20 0.51

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
SCHEMBL25789108 0.87 RAB9A (0.51) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL29080554 0.85 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL966793 0.85 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL31154574 0.85 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL25343703 0.84 RAB9A (0.72) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL13325735 0.82 RAB9A (0.75) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL970946 0.81 RAB9A (0.56) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL31731985 0.81 RAB9A (0.67) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL10978758 0.81 RAB9A (0.62) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL30714867 0.81 RAB9A (0.62) RAB9ANPC1KDM4EPOLBGFER

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
CN-116813618-A Amino-substituted imidazopyridine compound and synthesis method thereof 郑州泰基鸿诺医药股份有限公司 2023-09-29 CN claimed
CN-116813618-A Amino-substituted imidazopyridine compound and synthesis method thereof 郑州泰基鸿诺医药股份有限公司 2023-09-29 CN disclosed