SCHEMBL4739723

SCHEMBL4739723

S=c1[nH]c(-c2ccccc2)cn1Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 7/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
RECQL P46063 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 7/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 2/20 0.42
GAA P10253 4/20 0.41
NPC1 O15118 3/20 0.41
APOBEC3G Q9HC16 2/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
AGTR1 P30556 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CNOT7 Q9UIV1 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL4736170 0.79 KMT2A (0.58) RAB9AKDM4EKMT2AMEN1RECQL
SCHEMBL7012155 0.74 UPP1 (0.44) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL4739836 0.72 KMT2A (0.49) RAB9AKDM4EKMT2AMEN1RECQL
SCHEMBL4737872 0.72 KMT2A (0.51) RAB9AKDM4EKMT2AMEN1RECQL
SCHEMBL4738141 0.72 RAB9A (0.46) RAB9AKDM4EKMT2AMEN1RECQL
SCHEMBL4739765 0.72 RAB9A (0.46) RAB9AKDM4EKMT2AMEN1RECQL
SCHEMBL9372580 0.71 RAB9A (0.50) RAB9AKDM4EKMT2AMEN1RECQL
SCHEMBL4735233 0.71 KMT2A (0.57) RAB9AKDM4EKMT2AMEN1RECQL
SCHEMBL4786062 0.70 RAB9A (0.50) RAB9AKDM4EKMT2AMEN1RECQL
SCHEMBL4738830 0.69 KMT2A (0.61) RAB9AKDM4EKMT2AMEN1RECQL

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