SCHEMBL9057939

SCHEMBL9057939

CSc1c(OC(C)=O)cc(C)c2c1c1ccccc1n2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MCL1 Q07820 1/20 0.44
ELANE P08246 1/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MITF O75030 1/20 0.41
GFER P55789 1/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL8802237 0.92 MEN1 (0.47) MEN1KMT2AMCL1ELANEKDM4E
SCHEMBL8390532 0.85 PTGES2 (0.44) MEN1KMT2AMCL1ELANEKDM4E
SCHEMBL8391236 0.84 MAPT (0.44) MEN1KMT2AMCL1KDM4ESMN1; SMN2
SCHEMBL8391206 0.84 MEN1 (0.47) MEN1KMT2AMCL1ELANEKDM4E
SCHEMBL9057704 0.83 MEN1 (0.42) MEN1KMT2AMCL1ELANEKDM4E
SCHEMBL9056342 0.83 ELANE (0.42) MEN1KMT2AELANEKDM4ESMN1; SMN2
SCHEMBL8803349 0.83 MEN1 (0.50) MEN1KMT2AMCL1ELANEKDM4E
SCHEMBL8389084 0.82 CCR2 (0.47) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL8389290 0.82 MAPT (0.43) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL8387479 0.82 ELANE (0.44) MEN1KMT2AMCL1ELANEKDM4E

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-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed