SCHEMBL30452306

SCHEMBL30452306

CCOC(=O)c1nccn1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.43
F9 P00740 1/20 0.42
F10 P00742 1/20 0.42
PLAU P00749 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL22309899 0.89 GABRA2 (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2GABRA2
SCHEMBL30716670 0.88 CDC7 (0.45) ALDH1A1GABRA2GABRB2F9F10
SCHEMBL20028039 0.88 GABRA2 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2GABRA2
SCHEMBL22309820 0.87 PDE4D (0.51) RAB9ANPC1SMN1; SMN2GABRA2GABRB2
SCHEMBL4701544 0.86 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GABRA2GABRB2MAPT
SCHEMBL22290363 0.80 NR4A1 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL29192833 0.79 RAB9A (0.44) ALDH1A1RAB9ANPC1GABRA2GABRB2
SCHEMBL29077940 0.79 GABRA2 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2GABRA2
SCHEMBL31325667 0.79 LMNA (0.42) ALDH1A1SMN1; SMN2MAPTF9F10
SCHEMBL27446503 0.77 CYP2C19 (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2POLB

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-116425681-A Green synthesis method of cyazofamid 青岛农业大学 2023-07-14 CN claimed