SCHEMBL6855698

SCHEMBL6855698

O=C1CCN(Cc2ccccc2)C(=S)[N]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.41
DHPS P49366 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GRM5 P41594 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6855500 0.83 DDB1 (0.54) DDB1CRBNL3MBTL1KMT2APOLB
SCHEMBL6858115 0.83 KMT2A (0.44) DDB1CRBNL3MBTL1KMT2APOLB
SCHEMBL6854285 0.76 ALDH1A1 (0.44) L3MBTL1KMT2APOLBMEN1CYP2D6
SCHEMBL7389188 0.73 L3MBTL1 (0.73) DDB1CRBNL3MBTL1KMT2APOLB
SCHEMBL6856024 0.71 DDB1 (0.47) DDB1CRBNKMT2AMEN1GAA
SCHEMBL8248998 0.70 DDB1 (0.59) DDB1CRBNL3MBTL1KMT2APOLB
SCHEMBL4892237 0.69 EPHX2 (0.45) DDB1CRBNL3MBTL1KMT2APOLB
SCHEMBL29450073 0.69 KMT2A (0.76) DDB1CRBNL3MBTL1KMT2APOLB
SCHEMBL16416392 0.69 KMT2A (0.76) DDB1CRBNL3MBTL1KMT2APOLB
SCHEMBL11052192 0.69 KMT2A (0.59) DDB1CRBNL3MBTL1KMT2APOLB

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
US-6784293-B1 SOLUTION AND SOLID-PHASE SYNTHESIS OF BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/ DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY 2004-08-31 US disclosed