SCHEMBL4738830

SCHEMBL4738830

COc1ccc(Cn2cc(-c3ccccc3)[nH]c2=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
GAA P10253 4/20 0.61
RAB9A P51151 3/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.61
MEN1 O00255 6/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
KDM4E B2RXH2 3/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
RXFP1 Q9HBX9 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RECQL P46063 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GFER P55789 1/20 0.45
CXCR2 P25025 1/20 0.44
AHR P35869 1/20 0.43

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 0.85 KMT2A (0.58) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4739836 0.82 KMT2A (0.49) KMT2AGAARAB9ANPC1MEN1
SCHEMBL4737872 0.82 KMT2A (0.51) KMT2AGAARAB9AHPGDNPC1
SCHEMBL1597131 0.80 LTA4H (0.51) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4738142 0.78 CYP11B1 (0.50) KMT2AGAARAB9AMEN1KDM4E
SCHEMBL4735266 0.78 DBH (0.56) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4738141 0.73 RAB9A (0.46) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4787183 0.73 KMT2A (0.89) KMT2AGAARAB9AHPGDNPC1
SCHEMBL4740547 0.73 DBH (0.53) KMT2AGAARAB9ANPC1MEN1
SCHEMBL4785588 0.71 GFER (0.47) KMT2AGAARAB9AHPGDNPC1

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 claimed