SCHEMBL4737872

SCHEMBL4737872

Oc1ccc(Cn2cc(-c3ccccc3)[nH]c2=S)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
MCL1 Q07820 1/20 0.51
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 3/20 0.48
DBH P09172 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.48
RAB9A P51151 4/20 0.46

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 0.89 KMT2A (0.58) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL4739836 0.85 KMT2A (0.49) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL4738830 0.82 KMT2A (0.61) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL4738142 0.82 CYP11B1 (0.50) KMT2AGAAKDM4EMEN1RECQL
SCHEMBL4739765 0.79 RAB9A (0.46) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL4738141 0.77 RAB9A (0.46) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL4740547 0.76 DBH (0.53) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL4735233 0.75 KMT2A (0.57) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL4786062 0.74 RAB9A (0.50) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL4738476 0.74 RAB9A (0.78) KMT2AALDH1A1GAAKDM4EMEN1

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