SCHEMBL24767008

SCHEMBL24767008

CC(CO)COc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.49
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
OGG1 O15527 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASR P41180 1/20 0.43
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL14595237 0.88 TSHR (0.59) MAPK1TSHRKDM4ELMNASMN1; SMN2
SCHEMBL5661304 0.85 WDR5 (0.46) WDR5MAPK1KDM4EKMT2AKCNH2
SCHEMBL5658758 0.85 WDR5 (0.46) WDR5MAPK1KDM4EKMT2AKCNH2
SCHEMBL15958920 0.83 ADRB2 (0.59) MAPK1TSHRKMT2ASMN1; SMN2
SCHEMBL9967717 0.82 WDR5 (0.50) WDR5MAPK1KDM4EKMT2AKCNH2
SCHEMBL28595280 0.81 MAPK1 (0.66) WDR5MAPK1TSHRKDM4EKMT2A
SCHEMBL11446628 0.80 WDR5 (0.49) WDR5MAPK1TSHRKDM4EKMT2A
SCHEMBL18969804 0.78 LMNA (0.64) MAPK1CYP2D6LMNA
SCHEMBL96351 0.78 LMNA (0.64) MAPK1CYP2D6LMNA
SCHEMBL31032827 0.78 LMNA (0.64) MAPK1CYP2D6LMNA

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-2022262350-A1 SUBSTITUTED DIARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 山东第一医科大学(山东省医学科学院) 2022-12-22 WO disclosed