SCHEMBL4738664

SCHEMBL4738664

S=c1[nH]c(-c2ccccc2)cn1CCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
RECQL P46063 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ATM Q13315 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPY5R Q15761 1/20 0.42
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
CD274 Q9NZQ7 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4739350 0.86 KMT2A (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4783050 0.78 PTGS2 (0.53) KMT2AMEN1POLBHSD17B10ALDH1A1
SCHEMBL4735233 0.76 KMT2A (0.57) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4736170 0.71 KMT2A (0.58) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4738890 0.70 KMT2A (0.51) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL17446081 0.69 ALDH1A1 (0.56) KMT2AKDM4EMEN1RXFP1ATM
SCHEMBL4786062 0.69 RAB9A (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL9372580 0.68 RAB9A (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4737066 0.68 PTGS2 (0.49) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4740294 0.67 PTGS2 (0.51) KMT2AMEN1RAB9AALDH1A1MAPT

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