SCHEMBL8288791

SCHEMBL8288791

NCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 0.78
ATM Q13315 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
RAB9A P51151 4/20 0.71
NPC1 O15118 3/20 0.71
FLT3 P36888 1/20 0.71
ALDH1A1 P00352 2/20 0.69
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
MAPT P10636 3/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
HPGD P15428 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ESR2 Q92731 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
TP53 P04637 4/20 0.64
KIF11 P52732 1/20 0.63

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
SCHEMBL8290383 0.90 KMT2A (0.87) KMT2AMEN1ATML3MBTL1RAB9A
SCHEMBL8290627 0.88 KMT2A (1.00) KMT2AMEN1ATML3MBTL1RAB9A
SCHEMBL13561194 0.85 KMT2A (0.74) KMT2AMEN1ATML3MBTL1RAB9A
SCHEMBL3128198 0.83 FLT3 (1.00) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL3916274 0.83 KMT2A (0.97) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL7887075 0.83 KMT2A (0.70) KMT2AMEN1ATML3MBTL1RAB9A
SCHEMBL8289672 0.82 FLT3 (0.97) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL8206445 0.82 TP53 (0.80) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL919352 0.82 MEN1 (1.00) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL5453337 0.81 RAB9A (1.00) KMT2AMEN1RAB9ANPC1FLT3

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed