SCHEMBL7746377

SCHEMBL7746377

C[C]1C(=O)NC(=S)N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ELANE P08246 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
CTRC Q99895 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 4/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL7747008 0.84 KMT2A (0.68) KMT2AMEN1ELANEALDH1A1CYP1A2
SCHEMBL14870547 0.73 ALDH1A1 (0.63) KMT2AMEN1ELANETDP1ALDH1A1
SCHEMBL21359663 0.72 KMT2A (1.00) KMT2AMEN1ELANETDP1ALDH1A1
SCHEMBL5384563 0.69 KMT2A (1.00) KMT2AMEN1ELANEALDH1A1CYP1A2
SCHEMBL7486579 0.69 CNR1 (0.59) KMT2AMEN1ELANEALDH1A1CYP2C19
SCHEMBL8133525 0.69 ELANE (0.61) KMT2AMEN1ELANEALDH1A1F2
SCHEMBL17824459 0.69 ELANE (0.61) KMT2AMEN1ELANEALDH1A1F2
SCHEMBL20339296 0.68 KMT2A (0.73) KMT2AMEN1ELANEALDH1A1CYP1A2
SCHEMBL11453870 0.67 ELANE (0.70) KMT2AMEN1ELANETDP1ALDH1A1
SCHEMBL6620106 0.66 ELANE (0.53) KMT2AMEN1ELANEALDH1A1CYP1A2

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-2001027087-A2 PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO disclosed