SCHEMBL29699892

SCHEMBL29699892

CC(C)(C)C(=O)/C(=C\c1ccc(Cl)cc1)n1cnnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
ATM Q13315 3/20 0.64
CYP24A1 Q07973 1/20 0.51
MAPT P10636 5/20 0.46
NPC1 O15118 4/20 0.46
PKM P14618 4/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MITF O75030 1/20 0.46
CYP2C9 P11712 1/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
AMY1A P0DUB6 1/20 0.41
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL11436892 0.83 CYP24A1 (0.73) RAB9AATMCYP24A1MAPTNPC1
SCHEMBL8782157 0.78 RAB9A (1.00) RAB9AATMCYP24A1MAPTNPC1
SCHEMBL8782973 0.78 RAB9A (1.00) RAB9AATMCYP24A1MAPTNPC1
SCHEMBL8782151 0.78 RAB9A (1.00) RAB9AATMCYP24A1MAPTNPC1
SCHEMBL29699714 0.72 RAB9A (0.39) RAB9AATMCYP2C9AMY1AHDAC3
SCHEMBL29699905 0.72 RAB9A (0.39) RAB9AATMCYP2C9AMY1AHDAC3
SCHEMBL10990268 0.71 CYP24A1 (0.58) RAB9AATMCYP24A1MAPTNPC1
SCHEMBL10990265 0.71 CYP24A1 (0.58) RAB9AATMCYP24A1MAPTNPC1
SCHEMBL10364230 0.67 CYP2C9 (0.59) RAB9AATMHTTCYP2C9HDAC3
SCHEMBL10833934 0.67 CYP24A1 (0.50) RAB9AATMCYP24A1MAPTSMN1; SMN2

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-114685386-A Asymmetric batch synthesis method of uniconazole (E) - (S) -enantiomer 江苏剑牌农化股份有限公司 2022-07-01 CN disclosed