SCHEMBL4738890

SCHEMBL4738890

CCN(CC)CCn1cc(-c2ccccc2)[nH]c1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 4/20 0.51
RECQL P46063 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RAB9A P51151 5/20 0.45
MPO P05164 1/20 0.44
GAA P10253 5/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.39
AHR P35869 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GFER P55789 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL4735233 0.77 KMT2A (0.57) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4783037 0.74 LMNA (0.43) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4739350 0.73 KMT2A (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4736170 0.72 KMT2A (0.58) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL259629 0.71 RAB9A (0.59) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4738664 0.70 KMT2A (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4786062 0.70 RAB9A (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4785588 0.68 GFER (0.47) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL3169921 0.67 RAB9A (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4738830 0.67 KMT2A (0.61) KMT2AKDM4EMEN1RECQLRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed