SCHEMBL4736170

SCHEMBL4736170

S=c1[nH]c(-c2ccccc2)cn1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
KDM4E B2RXH2 6/20 0.58
MEN1 O00255 3/20 0.58
RECQL P46063 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
RAB9A P51151 6/20 0.53
ALDH1A1 P00352 3/20 0.49
DBH P09172 1/20 0.49
GAA P10253 6/20 0.46
HPGD P15428 3/20 0.44
NPC1 O15118 3/20 0.43
APOBEC3G Q9HC16 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CXCR2 P25025 1/20 0.41

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
SCHEMBL4737872 0.89 KMT2A (0.51) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4739836 0.89 KMT2A (0.49) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4740547 0.85 DBH (0.53) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4738830 0.85 KMT2A (0.61) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4738142 0.85 CYP11B1 (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4738141 0.83 RAB9A (0.46) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4739765 0.80 RAB9A (0.46) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL9372580 0.79 RAB9A (0.50) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4739723 0.79 RAB9A (0.45) KMT2AKDM4EMEN1RECQLRXFP1
SCHEMBL4735233 0.78 KMT2A (0.57) 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 1 patent. 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 disclosed