SCHEMBL28233999

SCHEMBL28233999

CNc1ccnc(Cc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ ATM Q13315 1/20 0.41
▸ KDM4A O75164 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.40
▸ PNMT P11086 1/20 0.40
▸ CCR4 P51679 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CHEK1 O14757 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
SCHEMBL17663978 0.78 TSHR (0.42) SLC6A2SLC6A4SLC6A3ATMKDM4A
SCHEMBL5855082 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ATMKDM4A
SCHEMBL5742694 0.74 PNMT (0.46) SLC6A2SLC6A4SLC6A3ATMKDM4A
Hydrochloric Acid SCHEMBL10883137 0.73 GRIN2D (0.35) ALDH1A1
SCHEMBL5743523 0.73 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KDM4AKDM5A
SCHEMBL26739697 0.72 PRKCI (0.49) CYP2D6CYP3A4CYP1A2MAP4K4ALDH1A1
SCHEMBL26036525 0.71 CLK4 (0.41) SLC6A2SLC6A4SLC6A3CYP1A2CLK4
SCHEMBL10883653 0.71 JAK2 (0.41) CYP3A4CYP1A2POLBTSHR
SCHEMBL11615543 0.71 PRKCI (0.38) CYP3A4CYP1A2ALDH1A1POLBLOXL2
SCHEMBL21982078 0.69 KDM4E (0.50) ATMCYP2D6CYP3A4ALDH1A1TSHR

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-108347925-A composition for destroying microalgae or moss 株式会社CUREARTH 2018-07-31 — — CN disclosed
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