SCHEMBL8306883

SCHEMBL8306883

CC(C)c1csc(/C=C/c2cccc(CCl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.49
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CCR4 P51679 1/20 0.33
GCK P35557 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 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
SCHEMBL8306885 1.00 ALB (0.49) ALBMEN1KMT2AKDM4EPOLB
SCHEMBL8305602 0.87 ALB (0.52) ALBMEN1KMT2AKDM4EPOLB
SCHEMBL8305600 0.87 ALB (0.52) ALBMEN1KMT2AKDM4EPOLB
SCHEMBL5775275 0.80 ALB (0.52) ALBMEN1KMT2AADORA3PTGS1
SCHEMBL8304425 0.80 ALB (0.52) ALBMEN1KMT2AKDM4EHDAC1
SCHEMBL5777449 0.80 ALB (0.49) ALBCCR4MAPT
SCHEMBL9260315 0.80 ALB (0.49) ALBCCR4MAPT
SCHEMBL8304428 0.80 ALB (0.52) ALBMEN1KMT2AKDM4EHDAC1
SCHEMBL5778735 0.78 ALB (0.57) ALBMEN1KMT2AKDM4EHDAC1
SCHEMBL5776876 0.77 ALB (0.47) ALB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
CN-1040108-C Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1998-10-07 CN disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
CN-1061413-A Medicinal compound LILLY INDUSTRIES LTD (GB) 1992-05-27 CN disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed