SCHEMBL30341583

SCHEMBL30341583

CN=NC(=O)c1cc(C)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL11912035 0.77 MEN1 (0.47) MEN1KMT2AGAATSHRCYP2D6
SCHEMBL11286933 0.76 MEN1 (0.46) MEN1KMT2AGAATSHRCYP2D6
SCHEMBL9420245 0.74 MEN1 (0.57) MEN1KMT2AGAATSHRCSNK2A1
SCHEMBL9862051 0.74 MEN1 (0.57) MEN1KMT2AGAATSHRCSNK2A1
Hydrochloric Acid SCHEMBL8393812 0.74 SLC9A1 (0.53) CYP2D6
SCHEMBL5824889 0.74 MEN1 (0.45) MEN1KMT2AGAATSHRCYP2D6
SCHEMBL697905 0.73 KMT2A (0.55) MEN1KMT2AGAATSHRCSNK2A1
SCHEMBL501733 0.73 MEN1 (0.55) MEN1KMT2AGAATSHRCYP2D6
SCHEMBL29636568 0.73 KMT2A (0.55) MEN1KMT2AGAATSHRCSNK2A1
SCHEMBL223101 0.73 CSNK2A1 (0.65) MEN1KMT2ATSHRCSNK2A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669551-A Agrochemical compositions with improved drift, absorption and rain resistance 拜耳公司 2023-08-29 — — CN disclosed
CN-116669549-A Agrochemical compositions with improved drift, spreading, absorption and rain-resistant properties 拜耳公司 2023-08-29 — — CN disclosed
CN-116669550-A Agrochemical compositions with improved drift, spreading and rain-resistant properties 拜耳公司 2023-08-29 — — CN disclosed
CN-116669552-A Agrochemical compositions with improved drift, spreadability and absorbency 拜耳公司 2023-08-29 — — CN disclosed
CN-116568134-A Tank mix adjuvant formulation with low drift, rain resistance, high spreadability, high absorption and ULV 拜耳公司 2023-08-08 — — CN disclosed
CN-116157397-A Heterocyclylpyridines as novel fungicides 拜耳公司 2023-05-23 — — CN disclosed
CN-116057056-A Azabicyclo-substituted heterocyclic compounds as fungicides 拜耳公司 2023-05-02 — — CN disclosed
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