SCHEMBL7945583

SCHEMBL7945583

O=C(NSCCSc1cccc(Br)c1)Nc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 4/20 0.46
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 9/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
TLR8 Q9NR97 1/20 0.41
F2R P25116 1/20 0.41

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
SCHEMBL6816108 0.81 KMT2A (0.48) KMT2AMEN1TDP1LMNANPC1
SCHEMBL7948467 0.78 KMT2A (0.50) KMT2AMEN1TDP1LMNANPC1
SCHEMBL6816113 0.77 SMN1; SMN2 (0.46) KMT2AMEN1TDP1LMNANPC1
SCHEMBL7946507 0.77 KMT2A (0.53) KMT2AMEN1TDP1LMNANPC1
SCHEMBL7946439 0.76 KMT2A (0.58) KMT2AMEN1TDP1LMNANPC1
SCHEMBL7948409 0.74 TLR8 (0.54) KMT2AMEN1TDP1LMNANPC1
SCHEMBL7947593 0.74 LMNA (0.63) KMT2AMEN1TDP1LMNANPC1
SCHEMBL7948446 0.74 KMT2A (0.47) KMT2AMEN1TDP1LMNANPC1
SCHEMBL7939190 0.73 KMT2A (0.49) KMT2AMEN1TDP1LMNANPC1
SCHEMBL7945565 0.72 KMT2A (0.50) KMT2AMEN1TDP1LMNANPC1

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed