SCHEMBL7948467

SCHEMBL7948467

O=C(NSCCOc1ccc(Br)cc1)Nc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.50
MEN1 O00255 8/20 0.50
TDP1 Q9NUW8 3/20 0.50
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 6/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 3/20 0.46
TLR8 Q9NR97 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL7945565 0.90 KMT2A (0.50) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL7939190 0.84 KMT2A (0.49) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL7948446 0.83 KMT2A (0.47) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL7946439 0.79 KMT2A (0.58) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL7945583 0.78 KMT2A (0.49) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL6811280 0.78 KMT2A (0.56) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL4825016 0.78 KMT2A (0.83) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL7947593 0.75 LMNA (0.63) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL6811283 0.74 KMT2A (0.51) KMT2AMEN1TDP1RAB9ASMN1; SMN2
SCHEMBL7946507 0.73 KMT2A (0.53) KMT2AMEN1TDP1RAB9ASMN1; SMN2

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