SCHEMBL29809073

SCHEMBL29809073

NCc1ccc(Cl)c(CN2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CHKA P35790 2/20 0.47
CA2 P00918 1/20 0.47
NCF1 P14598 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CXCR4 P61073 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL24732648 1.00 PRMT6 (0.56) PRMT6POLBSMN1; SMN2HRH3ALDH1A1
SCHEMBL24732674 0.87 POLB (0.56) PRMT6POLBSMN1; SMN2HRH3ALDH1A1
SCHEMBL29809196 0.87 POLB (0.56) PRMT6POLBSMN1; SMN2HRH3ALDH1A1
SCHEMBL13861951 0.79 ACHE (0.65) POLBSMN1; SMN2HRH3ALDH1A1KDM4E
SCHEMBL15065984 0.78 ACHE (0.63) POLBSMN1; SMN2HRH3ALDH1A1KDM4E
SCHEMBL111330 0.78 HRH3 (0.74) PRMT6POLBSMN1; SMN2HRH3ALDH1A1
SCHEMBL30596568 0.77 MEN1 (0.60) POLBSMN1; SMN2HRH3ALDH1A1KDM4E
SCHEMBL24732909 0.77 PRMT6 (0.56) PRMT6SMN1; SMN2HRH3ALDH1A1KDM4E
SCHEMBL29808844 0.77 PRMT6 (0.56) PRMT6SMN1; SMN2HRH3ALDH1A1KDM4E
SCHEMBL1934178 0.77 KDM4E (0.63) PRMT6SMN1; SMN2HRH3ALDH1A1KDM4E

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-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed