SCHEMBL24682973

SCHEMBL24682973

CNC(=O)c1c(N(C)Cc2ccccc2Cl)sc2c(Cl)c(O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADRB2 P07550 3/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SHBG P04278 1/20 0.32

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
SCHEMBL24682972 0.88 KMT2A (0.34) MGLLALDH1A1ADRB2KMT2AHSD17B2
SCHEMBL30701659 0.88 KMT2A (0.34) MGLLALDH1A1ADRB2KMT2AHSD17B2
SCHEMBL24682820 0.78 KMT2A (0.35) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL24683226 0.77 PDK1 (0.37) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL29800012 0.77 PDK1 (0.37) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL30701705 0.76 MCL1 (0.39) KMT2AMEN1CASP3SHBG
SCHEMBL24683876 0.76 MCL1 (0.39) KMT2AMEN1CASP3SHBG
SCHEMBL29799927 0.76 LMNA (0.38) KMT2AKDM4EMAPTHPGDMEN1
SCHEMBL24683205 0.76 LMNA (0.38) KMT2AKDM4EMAPTHPGDMEN1
SCHEMBL24683886 0.72 CA12 (0.39) ALDH1A1NPSR1KMT2AKDM4EMAPT

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
WO-2022173329-A1 2-ACETAMIDO-6-HYDROXY-BENZOTHIOPHENE DERIVATIVES WITH ANTIVIRAL ACTIVITY Акционерное общество "Отисифарм" 2022-08-18 — — WO disclosed
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