SCHEMBL29809392

SCHEMBL29809392

ClCc1cccc(CN2CCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
HRH3 Q9Y5N1 3/20 0.57
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
CYP2C9 P11712 1/20 0.54
HIF1A Q16665 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
POLB P06746 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
MBTD1 Q05BQ5 1/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL9325982 1.00 PRMT6 (0.68) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
Hydrochloric Acid SCHEMBL9023633 0.98 PRMT6 (0.66) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
SCHEMBL20209847 0.98 PRMT6 (0.66) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
Hydrochloric Acid SCHEMBL10665202 0.96 PRMT6 (0.64) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
SCHEMBL20209838 0.96 PRMT6 (0.62) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
SCHEMBL11339852 0.88 PRMT6 (0.78) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
SCHEMBL11192726 0.88 PRMT6 (0.78) PRMT6SMN1; SMN2ALDH1A1TDP1HRH3
Hydrochloric Acid SCHEMBL9024937 0.82 MC4R (0.66) PRMT6ALDH1A1HRH3SIGMAR1
Hydrochloric Acid SCHEMBL9024294 0.82 NCF1 (0.69) PRMT6SMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL6057453 0.81 HRH3 (0.77) SMN1; SMN2ALDH1A1HRH3CYP2D6CYP2C19

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